butyl-[[4-[[3-[7-(dimethylamino)-1,1-bis(oxidanylidene)-3,3-dipentyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-5-yl]phenyl]carbamothioylamino]phenyl]methyl]-dimethyl-azanium

Systemtic Name: butyl-[[4-[[3-[7-(dimethylamino)-1,1-bis(oxidanylidene)-3,3-dipentyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-5-yl]phenyl]carbamothioylamino]phenyl]methyl]-dimethyl-azanium Openeye Name: butyl-[[4-[[3-[7-(dimethylamino)-1,1-dioxo-3,3-dipentyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-5-yl]phenyl]carbamothioylamino]phenyl]methyl]-dimethyl-ammonium CAS Name: butyl-[[4-[[[3-[7-(dimethylamino)-1,1-dioxo-3,3-dipentyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-5-yl]anilino]-sulfanylidenemethyl]amino]phenyl]methyl]-dimethylammonium IUPAC Name: butyl-[[4-[[3-[7-(dimethylamino)-1,1-dioxo-3,3-dipentyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-5-yl]phenyl]carbamothioylamino]phenyl]methyl]-dimethylazanium Traditional Name: butyl-[4-[[3-[3,3-diamyl-7-(dimethylamino)-1,1-diketo-4,5-dihydro-2H-1$l^{6},4-benzothiazepin-5-yl]phenyl]thiocarbamoylamino]benzyl]-dimethyl-ammonium Formula: C41H62N5O2S2+ MolecularWeight: 721.09328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(N1)C3=CC(=CC=C3)NC(=S)NC4=CC=C(C=C4)C[N+](C)(C)CCCC)CCCCC

Isomeric SMILES

CCCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(N1)C3=CC(=CC=C3)NC(=S)NC4=CC=C(C=C4)C[N+](C)(C)CCCC)CCCCC

InChI

InChI=1S/C41H61N5O2S2/c1-8-11-14-25-41(26-15-12-9-2)31-50(47,48)38-24-23-36(45(4)5)29-37(38)39(44-41)33-17-16-18-35(28-33)43-40(49)42-34-21-19-32(20-22-34)30-46(6,7)27-13-10-3/h16-24,28-29,39,44H,8-15,25-27,30-31H2,1-7H3,(H-,42,43,49)/p+1