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

Systemtic Name: 4-(2-cyanophenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(2-cyanophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(2-cyanophenyl)sulfonyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-(2-cyanophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H20N4O2S2/c20-14-17-8-4-5-9-18(17)27(24,25)23-12-10-22(11-13-23)19(26)21-15-16-6-2-1-3-7-16/h1-9H,10-13,15H2,(H,21,26)