methyl 2-[[cyclopentyl-[(2-methoxyphenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclopentyl-[(2-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclopentyl-[(2-methoxyphenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclopentyl-[(2-methoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclopentyl-[(2-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclopentyl(o-anisyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(C2CCCC2)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1CN(C2CCCC2)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H26N2O3S/c1-26-20-14-8-3-9-16(20)15-24(17-10-4-5-11-17)22(28)23-19-13-7-6-12-18(19)21(25)27-2/h3,6-9,12-14,17H,4-5,10-11,15H2,1-2H3,(H,23,28)