ethyl 3-[(4-dimethylaminophenyl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-dimethylaminophenyl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[(4-dimethylaminophenyl)methylcarbamothioylamino]benzoate CAS Name: 3-[[[(4-dimethylaminophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-dimethylaminophenyl)methylcarbamothioylamino]benzoate Traditional Name: 3-[[4-(dimethylamino)benzyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C19H23N3O2S/c1-4-24-18(23)15-6-5-7-16(12-15)21-19(25)20-13-14-8-10-17(11-9-14)22(2)3/h5-12H,4,13H2,1-3H3,(H2,20,21,25)