methyl 4-[butyl(methyl)amino]-3-[(2-methoxyphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[butyl(methyl)amino]-3-[(2-methoxyphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[butyl(methyl)amino]-3-[(2-methoxyphenyl)carbamothioylamino]benzoate CAS Name: 4-[butyl(methyl)amino]-3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[butyl(methyl)amino]-3-[(2-methoxyphenyl)carbamothioylamino]benzoate Traditional Name: 4-[butyl(methyl)amino]-3-[(2-methoxyphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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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=C2OC

Isomeric SMILES

CCCCN(C)C1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=CC=C2OC

InChI

InChI=1S/C21H27N3O3S/c1-5-6-13-24(2)18-12-11-15(20(25)27-4)14-17(18)23-21(28)22-16-9-7-8-10-19(16)26-3/h7-12,14H,5-6,13H2,1-4H3,(H2,22,23,28)