S-propyl N-[C-[4-[[4-[[4-(N,N'-diethyl-N-propylsulfanylcarbonyl-carbamimidoyl)phenyl]carbamoyl]phenyl]carbonylamino]phenyl]-N-ethyl-carbonimidoyl]-N-ethyl-carbamothioate

Systemtic Name: S-propyl N-[C-[4-[[4-[[4-(N,N'-diethyl-N-propylsulfanylcarbonyl-carbamimidoyl)phenyl]carbamoyl]phenyl]carbonylamino]phenyl]-N-ethyl-carbonimidoyl]-N-ethyl-carbamothioate Openeye Name: S-propyl N-[C-[4-[[4-[[4-(N,N'-diethyl-N-propylsulfanylcarbonyl-carbamimidoyl)phenyl]carbamoyl]benzoyl]amino]phenyl]-N-ethyl-carbonimidoyl]-N-ethyl-carbamothioate CAS Name: N-ethyl-N-[ethylimino-[4-[[[4-[[4-[ethylimino-[ethyl-[oxo-(propylthio)methyl]amino]methyl]anilino]-oxomethyl]phenyl]-oxomethyl]amino]phenyl]methyl]carbamothioic acid S-propyl ester IUPAC Name: S-propyl N-[C-[4-[[4-[[4-(N,N'-diethyl-N-propylsulfanylcarbonylcarbamimidoyl)phenyl]carbamoyl]benzoyl]amino]phenyl]-N-ethylcarbonimidoyl]-N-ethylcarbamothioate Traditional Name: N-[C-[4-[[4-[[4-[N,N'-diethyl-N-(propylthio)carbonyl-amidino]phenyl]carbamoyl]benzoyl]amino]phenyl]-N-ethyl-carbonimidoyl]-N-ethyl-thiocarbamic acid S-propyl ester Formula: C38H48N6O4S2 MolecularWeight: 716.95552

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)N(CC)C(=NCC)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NCC)N(CC)C(=O)SCCC

Isomeric SMILES

CCCSC(=O)N(CC)C(=NCC)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=NCC)N(CC)C(=O)SCCC

InChI

InChI=1S/C38H48N6O4S2/c1-7-25-49-37(47)43(11-5)33(39-9-3)27-17-21-31(22-18-27)41-35(45)29-13-15-30(16-14-29)36(46)42-32-23-19-28(20-24-32)34(40-10-4)44(12-6)38(48)50-26-8-2/h13-24H,7-12,25-26H2,1-6H3,(H,41,45)(H,42,46)