[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl] benzenecarbodithioate

Systemtic Name: [2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl] benzenecarbodithioate Openeye Name: [2-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl] benzenecarbodithioate CAS Name: benzenecarbodithioic acid [2-[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl] benzenecarbodithioate Traditional Name: benzenecarbodithioic acid [2-keto-2-[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethyl] ester Formula: C19H23N3OS3 MolecularWeight: 405.60042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CSC(=S)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CSC(=S)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3OS3/c1-15-20-17(13-25-15)12-21-8-5-9-22(11-10-21)18(23)14-26-19(24)16-6-3-2-4-7-16/h2-4,6-7,13H,5,8-12,14H2,1H3