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

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

Isomeric SMILES

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

InChI

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