(3-cyano-3,3-diphenyl-propyl) 4-(3-methoxysulfonylpropanoyl)piperazine-1-carbodithioate

Systemtic Name: (3-cyano-3,3-diphenyl-propyl) 4-(3-methoxysulfonylpropanoyl)piperazine-1-carbodithioate Openeye Name: (3-cyano-3,3-diphenyl-propyl) 4-(3-methoxysulfonylpropanoyl)piperazine-1-carbodithioate CAS Name: 4-(3-methoxysulfonyl-1-oxopropyl)-1-piperazinecarbodithioic acid (3-cyano-3,3-diphenylpropyl) ester IUPAC Name: (3-cyano-3,3-diphenylpropyl) 4-(3-methoxysulfonylpropanoyl)piperazine-1-carbodithioate Traditional Name: 4-(3-methoxysulfonylpropanoyl)piperazine-1-carbodithioic acid (3-cyano-3,3-diphenyl-propyl) ester Formula: C25H29N3O4S3 MolecularWeight: 531.71046

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)CCC(=O)N1CCN(CC1)C(=S)SCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COS(=O)(=O)CCC(=O)N1CCN(CC1)C(=S)SCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O4S3/c1-32-35(30,31)19-12-23(29)27-14-16-28(17-15-27)24(33)34-18-13-25(20-26,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11H,12-19H2,1H3