2-[di(propan-2-yl)amino]ethyl 4-(benzenecarbonothioylsulfanyl)-4-isocyano-pentanoate

Systemtic Name: 2-[di(propan-2-yl)amino]ethyl 4-(benzenecarbonothioylsulfanyl)-4-isocyano-pentanoate Openeye Name: 2-(diisopropylamino)ethyl 4-(benzenecarbonothioylsulfanyl)-4-isocyano-pentanoate CAS Name: 4-(benzenecarbonothioylthio)-4-isocyanopentanoic acid 2-[di(propan-2-yl)amino]ethyl ester IUPAC Name: 2-[di(propan-2-yl)amino]ethyl 4-(benzenecarbonothioylsulfanyl)-4-isocyanopentanoate Traditional Name: 4-(benzenecarbonothioylthio)-4-isocyano-valeric acid 2-(diisopropylamino)ethyl ester Formula: C21H30N2O2S2 MolecularWeight: 406.6051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCOC(=O)CCC(C)([N+]#[C-])SC(=S)C1=CC=CC=C1)C(C)C

Isomeric SMILES

CC(C)N(CCOC(=O)CCC(C)([N+]#[C-])SC(=S)C1=CC=CC=C1)C(C)C

InChI

InChI=1S/C21H30N2O2S2/c1-16(2)23(17(3)4)14-15-25-19(24)12-13-21(5,22-6)27-20(26)18-10-8-7-9-11-18/h7-11,16-17H,12-15H2,1-5H3