methyl 4-[(4-dimethylaminophenyl)methylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4-dimethylaminophenyl)methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-dimethylaminophenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(4-dimethylaminophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-dimethylaminophenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[[4-(dimethylamino)benzyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H21N3O2S/c1-21(2)16-10-4-13(5-11-16)12-19-18(24)20-15-8-6-14(7-9-15)17(22)23-3/h4-11H,12H2,1-3H3,(H2,19,20,24)