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

Systemtic Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Openeye Name: 3-[(4-nitrophenyl)sulfonylamino]-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-nitrophenyl)sulfonylamino]propanamide IUPAC Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Traditional Name: 3-(nosylamino)-N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C15H19N5O5S3 MolecularWeight: 445.53686

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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)[N+](=O)[O-]

Isomeric SMILES

CCC(C)SC1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O5S3/c1-3-10(2)26-15-19-18-14(27-15)17-13(21)8-9-16-28(24,25)12-6-4-11(5-7-12)20(22)23/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,18,21)