[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-phenylpiperazine-1-carbodithioate

Systemtic Name: [2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-phenylpiperazine-1-carbodithioate Openeye Name: [2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl] 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-1-piperazinecarbodithioic acid [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid [2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C26H24ClN3O2S2 MolecularWeight: 510.07066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24ClN3O2S2/c27-20-11-12-23(22(17-20)25(32)19-7-3-1-4-8-19)28-24(31)18-34-26(33)30-15-13-29(14-16-30)21-9-5-2-6-10-21/h1-12,17H,13-16,18H2,(H,28,31)