4-(2-cyanophenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide

Systemtic Name: 4-(2-cyanophenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(2-cyanophenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-(2-cyanophenyl)sulfonyl-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(2-cyanophenyl)sulfonyl-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(2-cyanophenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=S)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H22N4O2S2/c21-16-18-8-4-5-9-19(18)28(25,26)24-14-12-23(13-15-24)20(27)22-11-10-17-6-2-1-3-7-17/h1-9H,10-15H2,(H,22,27)