methyl 3-[[4-methyl-3-(propanoylamino)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-methyl-3-(propanoylamino)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-methyl-3-(propanoylamino)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-methyl-3-(propanoylamino)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-methyl-3-propionamido-phenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)C

InChI

InChI=1S/C20H21N3O4S/c1-4-17(24)22-16-11-15(9-8-12(16)2)21-20(28)23-18(25)13-6-5-7-14(10-13)19(26)27-3/h5-11H,4H2,1-3H3,(H,22,24)(H2,21,23,25,28)