3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(4-methoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H26N4O2S/c1-24(2)14-4-13-21-20(27)23-17-7-5-15(6-8-17)19(25)22-16-9-11-18(26-3)12-10-16/h5-12H,4,13-14H2,1-3H3,(H,22,25)(H2,21,23,27)/p+1