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

Systemtic Name: 4-[(E)-2-phenylethenyl]sulfonyl-N-(thiophen-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[(E)-styryl]sulfonyl-N-(2-thienylmethyl)piperazine-1-carbothioamide CAS Name: 4-[(E)-2-phenylethenyl]sulfonyl-N-(thiophen-2-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(E)-2-phenylethenyl]sulfonyl-N-(thiophen-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-[(E)-styryl]sulfonyl-N-(2-thenyl)piperazine-1-carbothioamide Formula: C18H21N3O2S3 MolecularWeight: 407.57324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CS2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CS2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2S3/c22-26(23,14-8-16-5-2-1-3-6-16)21-11-9-20(10-12-21)18(24)19-15-17-7-4-13-25-17/h1-8,13-14H,9-12,15H2,(H,19,24)/b14-8+