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

Systemtic Name: [2-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl] benzenecarbodithioate Openeye Name: [2-[4-(2-furylmethyl)-1,4-diazepan-1-yl]-2-oxo-ethyl] benzenecarbodithioate CAS Name: benzenecarbodithioic acid [2-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-oxoethyl] benzenecarbodithioate Traditional Name: benzenecarbodithioic acid [2-[4-(2-furfuryl)-1,4-diazepan-1-yl]-2-keto-ethyl] ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC3=CC=CO3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC(=S)C2=CC=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C19H22N2O2S2/c22-18(15-25-19(24)16-6-2-1-3-7-16)21-10-5-9-20(11-12-21)14-17-8-4-13-23-17/h1-4,6-8,13H,5,9-12,14-15H2