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

Systemtic Name: 4-methyl-N-[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-N-[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[2-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=NN=C(S2)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=NN=C(S2)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c1-9(2)6-14-19-20-16(26-14)18-13(22)8-17-15(23)11-5-4-10(3)12(7-11)21(24)25/h4-5,7,9H,6,8H2,1-3H3,(H,17,23)(H,18,20,22)