(4-oxidanylidenechromen-3-yl)methyl 4-(phenylmethyl)piperazine-1-carbodithioate

Systemtic Name: (4-oxidanylidenechromen-3-yl)methyl 4-(phenylmethyl)piperazine-1-carbodithioate Openeye Name: (4-oxochromen-3-yl)methyl 4-benzylpiperazine-1-carbodithioate CAS Name: 4-(phenylmethyl)-1-piperazinecarbodithioic acid (4-oxo-1-benzopyran-3-yl)methyl ester IUPAC Name: (4-oxochromen-3-yl)methyl 4-benzylpiperazine-1-carbodithioate Traditional Name: 4-benzylpiperazine-1-carbodithioic acid (4-ketochromen-3-yl)methyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)SCC3=COC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)SCC3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N2O2S2/c25-21-18(15-26-20-9-5-4-8-19(20)21)16-28-22(27)24-12-10-23(11-13-24)14-17-6-2-1-3-7-17/h1-9,15H,10-14,16H2