N-(phenylmethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(phenylmethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-benzyl-piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-benzylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-besyl-piperazine-1-carbothioamide Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2S2/c22-25(23,17-9-5-2-6-10-17)21-13-11-20(12-14-21)18(24)19-15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,19,24)