N-(3-nitrophenyl)-2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide

Systemtic Name: N-(3-nitrophenyl)-2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide Openeye Name: N-(3-nitrophenyl)-2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide CAS Name: N-(3-nitrophenyl)-2-[[5-[(1-oxo-3-phenylpropyl)amino]-1,3,4-thiadiazol-2-yl]thio]butanamide IUPAC Name: N-(3-nitrophenyl)-2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide Traditional Name: 2-[[5-(hydrocinnamoylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(3-nitrophenyl)butyramide Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H21N5O4S2/c1-2-17(19(28)22-15-9-6-10-16(13-15)26(29)30)31-21-25-24-20(32-21)23-18(27)12-11-14-7-4-3-5-8-14/h3-10,13,17H,2,11-12H2,1H3,(H,22,28)(H,23,24,27)