methyl 2-[[1-(2-azanylethyl)cyclopentyl]carbothioylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: methyl 2-[[1-(2-azanylethyl)cyclopentyl]carbothioylamino]-3-(4-methylphenyl)propanoate Openeye Name: methyl 2-[[1-(2-aminoethyl)cyclopentanecarbothioyl]amino]-3-(p-tolyl)propanoate CAS Name: 2-[[[1-(2-aminoethyl)cyclopentyl]-sulfanylidenemethyl]amino]-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(2-aminoethyl)cyclopentanecarbothioyl]amino]-3-(4-methylphenyl)propanoate Traditional Name: 2-[[1-(2-aminoethyl)cyclopentanecarbothioyl]amino]-3-(p-tolyl)propionic acid methyl ester Formula: C19H28N2O2S MolecularWeight: 348.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)OC)NC(=S)C2(CCCC2)CCN

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)OC)NC(=S)C2(CCCC2)CCN

InChI

InChI=1S/C19H28N2O2S/c1-14-5-7-15(8-6-14)13-16(17(22)23-2)21-18(24)19(11-12-20)9-3-4-10-19/h5-8,16H,3-4,9-13,20H2,1-2H3,(H,21,24)