4-[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C15H17N5O4S2 MolecularWeight: 395.45658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4S2/c1-8(2)5-13-18-19-15(26-13)17-12(21)7-25-11-4-3-9(14(16)22)6-10(11)20(23)24/h3-4,6,8H,5,7H2,1-2H3,(H2,16,22)(H,17,19,21)