N-(3-methylphenyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methylphenyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(m-tolyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-methylphenyl)-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-methylphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(m-tolyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S2/c1-17-6-5-9-19(16-17)21-20(26)22-11-13-23(14-12-22)27(24,25)15-10-18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3,(H,21,26)/b15-10+