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

Systemtic Name: 3-[[4-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(4-ethoxyanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(4-ethoxyphenyl)carbamoyl]phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[[4-(p-phenetylcarbamoyl)phenyl]thiocarbamoylamino]propyl]ammonium Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C21H28N4O2S/c1-4-27-19-12-10-17(11-13-19)23-20(26)16-6-8-18(9-7-16)24-21(28)22-14-5-15-25(2)3/h6-13H,4-5,14-15H2,1-3H3,(H,23,26)(H2,22,24,28)/p+1