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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C16H21N5O3S3 MolecularWeight: 427.56464

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C16H21N5O3S3/c1-3-25-16-19-18-15(26-16)17-14(22)12-5-4-6-13(11-12)27(23,24)21-9-7-20(2)8-10-21/h4-6,11H,3,7-10H2,1-2H3,(H,17,18,22)