methyl 2-[[cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclopentyl-(2,3,4-trimethoxybenzyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-28-20-14-13-16(21(29-2)22(20)30-3)15-26(17-9-5-6-10-17)24(32)25-19-12-8-7-11-18(19)23(27)31-4/h7-8,11-14,17H,5-6,9-10,15H2,1-4H3,(H,25,32)