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

Systemtic Name: methyl 3-(4-aminophenyl)-2-[[1-(2-azanylethyl)cyclopentyl]carbothioylamino]propanoate Openeye Name: methyl 2-[[1-(2-aminoethyl)cyclopentanecarbothioyl]amino]-3-(4-aminophenyl)propanoate CAS Name: 2-[[[1-(2-aminoethyl)cyclopentyl]-sulfanylidenemethyl]amino]-3-(4-aminophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(2-aminoethyl)cyclopentanecarbothioyl]amino]-3-(4-aminophenyl)propanoate Traditional Name: 2-[[1-(2-aminoethyl)cyclopentanecarbothioyl]amino]-3-(4-aminophenyl)propionic acid methyl ester Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-23-16(22)15(12-13-4-6-14(20)7-5-13)21-17(24)18(10-11-19)8-2-3-9-18/h4-7,15H,2-3,8-12,19-20H2,1H3,(H,21,24)