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

Systemtic Name: methyl 4-[butyl(methyl)amino]-3-[(4-ethylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[butyl(methyl)amino]-3-[(4-ethylphenyl)carbamothioylamino]benzoate CAS Name: 4-[butyl(methyl)amino]-3-[[(4-ethylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[butyl(methyl)amino]-3-[(4-ethylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[butyl(methyl)amino]-3-[(4-ethylphenyl)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=C(C=C2)CC

Isomeric SMILES

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

InChI

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