(E)-3-phenylsulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-phenylsulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-phenylsulfanyl-1-[4-(2-thienylsulfonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(phenylthio)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-phenylsulfanyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(phenylthio)-1-[4-(2-thienylsulfonyl)piperazino]prop-2-en-1-one Formula: C17H18N2O3S3 MolecularWeight: 394.53142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CSC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/SC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H18N2O3S3/c20-16(8-14-23-15-5-2-1-3-6-15)18-9-11-19(12-10-18)25(21,22)17-7-4-13-24-17/h1-8,13-14H,9-12H2/b14-8+