ethyl 4-[[3-(4-methylphenyl)pyrrolidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-(4-methylphenyl)pyrrolidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[3-(p-tolyl)pyrrolidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[3-(4-methylphenyl)-1-pyrrolidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-methylphenyl)pyrrolidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[3-(p-tolyl)pyrrolidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(C2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(C2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N2O2S/c1-3-25-20(24)17-8-10-19(11-9-17)22-21(26)23-13-12-18(14-23)16-6-4-15(2)5-7-16/h4-11,18H,3,12-14H2,1-2H3,(H,22,26)