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

Systemtic Name: methyl 2-[[1-(2-azanylethyl)cyclopentyl]carbothioylamino]-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-[[1-(2-aminoethyl)cyclopentanecarbothioyl]amino]-3-(4-nitrophenyl)propanoate CAS Name: 2-[[[1-(2-aminoethyl)cyclopentyl]-sulfanylidenemethyl]amino]-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(2-aminoethyl)cyclopentanecarbothioyl]amino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-[[1-(2-aminoethyl)cyclopentanecarbothioyl]amino]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=S)C2(CCCC2)CCN

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=S)C2(CCCC2)CCN

InChI

InChI=1S/C18H25N3O4S/c1-25-16(22)15(12-13-4-6-14(7-5-13)21(23)24)20-17(26)18(10-11-19)8-2-3-9-18/h4-7,15H,2-3,8-12,19H2,1H3,(H,20,26)