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

Systemtic Name: methyl 4-[[3-(3-methylbutoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(3-isopentyloxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-methylbutoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(3-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=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

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