N-(3-ethylphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-ethylphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(3-ethylphenyl)piperazine-1-carbothioamide CAS Name: N-(3-ethylphenyl)-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(3-ethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-(3-ethylphenyl)piperazine-1-carbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S2/c1-2-17-9-6-10-19(15-17)21-20(26)22-11-13-23(14-12-22)27(24,25)16-18-7-4-3-5-8-18/h3-10,15H,2,11-14,16H2,1H3,(H,21,26)