[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl] 4-(phenylmethyl)piperazine-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl] 4-(phenylmethyl)piperazine-1-carbodithioate Openeye Name: [2-oxo-2-(2-oxochromen-3-yl)ethyl] 4-benzylpiperazine-1-carbodithioate CAS Name: 4-(phenylmethyl)-1-piperazinecarbodithioic acid [2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxochromen-3-yl)ethyl] 4-benzylpiperazine-1-carbodithioate Traditional Name: 4-benzylpiperazine-1-carbodithioic acid [2-keto-2-(2-ketochromen-3-yl)ethyl] ester Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)SCC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)SCC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H22N2O3S2/c26-20(19-14-18-8-4-5-9-21(18)28-22(19)27)16-30-23(29)25-12-10-24(11-13-25)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2