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

Systemtic Name: N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[(5-butyl-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:

CCCCC1=NN=C(S1)NC(=O)CNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)CNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c1-3-4-5-14-19-20-16(26-14)18-13(22)9-17-15(23)11-7-6-10(2)12(8-11)21(24)25/h6-8H,3-5,9H2,1-2H3,(H,17,23)(H,18,20,22)