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

Systemtic Name: methyl 3-[[4-(3-methylbutoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-isopentyloxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-methylbutoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-isoamoxyphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-14(2)11-12-27-18-9-7-17(8-10-18)22-21(28)23-19(24)15-5-4-6-16(13-15)20(25)26-3/h4-10,13-14H,11-12H2,1-3H3,(H2,22,23,24,28)