methyl 4-[3-[methyl(phenyl)amino]propylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[3-[methyl(phenyl)amino]propylcarbamothioylamino]benzoate Openeye Name: methyl 4-[3-(N-methylanilino)propylcarbamothioylamino]benzoate CAS Name: 4-[[[3-(N-methylanilino)propylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(N-methylanilino)propylcarbamothioylamino]benzoate Traditional Name: 4-[3-(N-methylanilino)propylthiocarbamoylamino]benzoic acid methyl ester Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=S)NC1=CC=C(C=C1)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=S)NC1=CC=C(C=C1)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C19H23N3O2S/c1-22(17-7-4-3-5-8-17)14-6-13-20-19(25)21-16-11-9-15(10-12-16)18(23)24-2/h3-5,7-12H,6,13-14H2,1-2H3,(H2,20,21,25)