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

Systemtic Name: [2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate Openeye Name: [2-oxo-2-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate CAS Name: benzenecarbodithioic acid [2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl] benzenecarbodithioate Traditional Name: benzenecarbodithioic acid [2-keto-2-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]ethyl] ester Formula: C20H23N3OS2 MolecularWeight: 385.54612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC3=CC=NC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC3=CC=NC=C3

InChI

InChI=1S/C20H23N3OS2/c24-19(16-26-20(25)18-5-2-1-3-6-18)23-12-4-11-22(13-14-23)15-17-7-9-21-10-8-17/h1-3,5-10H,4,11-16H2