methyl 2-[[cyclopentyl-[(2,4-dimethoxyphenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclopentyl-[(2,4-dimethoxyphenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclopentyl-[(2,4-dimethoxyphenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclopentyl-[(2,4-dimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclopentyl-[(2,4-dimethoxyphenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclopentyl-(2,4-dimethoxybenzyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN(C2CCCC2)C(=S)NC3=CC=CC=C3C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN(C2CCCC2)C(=S)NC3=CC=CC=C3C(=O)OC)OC

InChI

InChI=1S/C23H28N2O4S/c1-27-18-13-12-16(21(14-18)28-2)15-25(17-8-4-5-9-17)23(30)24-20-11-7-6-10-19(20)22(26)29-3/h6-7,10-14,17H,4-5,8-9,15H2,1-3H3,(H,24,30)