methyl 4-[butyl(methyl)amino]-3-[(3,5-dimethylphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[butyl(methyl)amino]-3-[(3,5-dimethylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[butyl(methyl)amino]-3-[(3,5-dimethylphenyl)carbamothioylamino]benzoate CAS Name: 4-[butyl(methyl)amino]-3-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[butyl(methyl)amino]-3-[(3,5-dimethylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[butyl(methyl)amino]-3-[(3,5-dimethylphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c1-6-7-10-25(4)20-9-8-17(21(26)27-5)14-19(20)24-22(28)23-18-12-15(2)11-16(3)13-18/h8-9,11-14H,6-7,10H2,1-5H3,(H2,23,24,28)