methyl 4-[butyl(methyl)amino]-3-[(3-methylphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[butyl(methyl)amino]-3-[(3-methylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[butyl(methyl)amino]-3-(m-tolylcarbamothioylamino)benzoate CAS Name: 4-[butyl(methyl)amino]-3-[[(3-methylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[butyl(methyl)amino]-3-[(3-methylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[butyl(methyl)amino]-3-(m-tolylthiocarbamoylamino)benzoic acid methyl ester Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCCN(C)C1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC(=C2)C

InChI

InChI=1S/C21H27N3O2S/c1-5-6-12-24(3)19-11-10-16(20(25)26-4)14-18(19)23-21(27)22-17-9-7-8-15(2)13-17/h7-11,13-14H,5-6,12H2,1-4H3,(H2,22,23,27)