(7-chloranyl-4-oxidanylidene-chromen-2-yl)methyl 4-phenylpiperazine-1-carbodithioate

Systemtic Name: (7-chloranyl-4-oxidanylidene-chromen-2-yl)methyl 4-phenylpiperazine-1-carbodithioate Openeye Name: (7-chloro-4-oxo-chromen-2-yl)methyl 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-1-piperazinecarbodithioic acid (7-chloro-4-oxo-1-benzopyran-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxochromen-2-yl)methyl 4-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid (7-chloro-4-keto-chromen-2-yl)methyl ester Formula: C21H19ClN2O2S2 MolecularWeight: 430.97076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)SCC3=CC(=O)C4=C(O3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)SCC3=CC(=O)C4=C(O3)C=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN2O2S2/c22-15-6-7-18-19(25)13-17(26-20(18)12-15)14-28-21(27)24-10-8-23(9-11-24)16-4-2-1-3-5-16/h1-7,12-13H,8-11,14H2