(3-cyano-3,3-diphenyl-propyl) 4-(4-methoxyphenyl)sulfonylpiperazine-1-carbodithioate

Systemtic Name: (3-cyano-3,3-diphenyl-propyl) 4-(4-methoxyphenyl)sulfonylpiperazine-1-carbodithioate Openeye Name: (3-cyano-3,3-diphenyl-propyl) 4-(4-methoxyphenyl)sulfonylpiperazine-1-carbodithioate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbodithioic acid (3-cyano-3,3-diphenylpropyl) ester IUPAC Name: (3-cyano-3,3-diphenylpropyl) 4-(4-methoxyphenyl)sulfonylpiperazine-1-carbodithioate Traditional Name: 4-(4-methoxyphenyl)sulfonylpiperazine-1-carbodithioic acid (3-cyano-3,3-diphenyl-propyl) ester Formula: C28H29N3O3S3 MolecularWeight: 551.74316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)SCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)SCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S3/c1-34-25-12-14-26(15-13-25)37(32,33)31-19-17-30(18-20-31)27(35)36-21-16-28(22-29,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15H,16-21H2,1H3