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

Systemtic Name: [2-oxidanylidene-2-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate Openeye Name: [2-oxo-2-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate CAS Name: benzenecarbodithioic acid [2-oxo-2-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate Traditional Name: benzenecarbodithioic acid [2-keto-2-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethyl] ester Formula: C18H21N3OS3 MolecularWeight: 391.57384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC3=NC=CS3

InChI

InChI=1S/C18H21N3OS3/c22-17(14-25-18(23)15-5-2-1-3-6-15)21-9-4-8-20(10-11-21)13-16-19-7-12-24-16/h1-3,5-7,12H,4,8-11,13-14H2