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

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-benzamide Openeye Name: 4-[2-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C16H19N5O4S2 MolecularWeight: 409.48316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S2/c1-3-9(4-2)15-19-20-16(27-15)18-13(22)8-26-12-6-5-10(14(17)23)7-11(12)21(24)25/h5-7,9H,3-4,8H2,1-2H3,(H2,17,23)(H,18,20,22)