3-(4-methylpiperazin-1-yl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-(4-methylpiperazin-1-yl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: 3-[(4-methyl-1-piperazinyl)sulfonyl]-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(4-methylpiperazin-1-yl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C17H21N5O3S3 MolecularWeight: 439.57534

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC=C

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC=C

InChI

InChI=1S/C17H21N5O3S3/c1-3-11-26-17-20-19-16(27-17)18-15(23)13-5-4-6-14(12-13)28(24,25)22-9-7-21(2)8-10-22/h3-6,12H,1,7-11H2,2H3,(H,18,19,23)