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

Systemtic Name: N-(3-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-methoxyphenyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-methoxyphenyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S2/c1-26-19-9-5-8-18(16-19)21-20(27)22-11-13-23(14-12-22)28(24,25)15-10-17-6-3-2-4-7-17/h2-10,15-16H,11-14H2,1H3,(H,21,27)/b15-10+