[3-(aminomethyl)-2,4-dimethyl-pentan-3-yl] 4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoate

Systemtic Name: [3-(aminomethyl)-2,4-dimethyl-pentan-3-yl] 4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoate Openeye Name: [1-(aminomethyl)-1-isopropyl-2-methyl-propyl] 4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoate CAS Name: 4-(benzenecarbonothioylthio)-4-cyanopentanoic acid [3-(aminomethyl)-2,4-dimethylpentan-3-yl] ester IUPAC Name: [3-(aminomethyl)-2,4-dimethylpentan-3-yl] 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoate Traditional Name: 4-(benzenecarbonothioylthio)-4-cyano-valeric acid [1-(aminomethyl)-1-isopropyl-2-methyl-propyl] ester Formula: C21H30N2O2S2 MolecularWeight: 406.6051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN)(C(C)C)OC(=O)CCC(C)(C#N)SC(=S)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(CN)(C(C)C)OC(=O)CCC(C)(C#N)SC(=S)C1=CC=CC=C1

InChI

InChI=1S/C21H30N2O2S2/c1-15(2)21(14-23,16(3)4)25-18(24)11-12-20(5,13-22)27-19(26)17-9-7-6-8-10-17/h6-10,15-16H,11-12,14,23H2,1-5H3