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

Systemtic Name: N-phenethyl-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-phenethyl-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-phenethyl-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-phenethyl-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-phenethyl-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCCC2=CC=CC=C2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=S)NCCC2=CC=CC=C2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S2/c25-28(26,18-12-20-9-5-2-6-10-20)24-16-14-23(15-17-24)21(27)22-13-11-19-7-3-1-4-8-19/h1-10,12,18H,11,13-17H2,(H,22,27)/b18-12+