N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: 3-(p-tolylsulfonylamino)-N-(5-sec-butylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: N-[5-(butan-2-ylthio)-1,3,4-thiadiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]-3-(tosylamino)propionamide Formula: C16H22N4O3S3 MolecularWeight: 414.56588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)SC1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H22N4O3S3/c1-4-12(3)24-16-20-19-15(25-16)18-14(21)9-10-17-26(22,23)13-7-5-11(2)6-8-13/h5-8,12,17H,4,9-10H2,1-3H3,(H,18,19,21)