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

Systemtic Name: N-[5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[[2-keto-2-(p-anisidino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C18H15N5O5S2 MolecularWeight: 445.4722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5S2/c1-28-14-7-5-12(6-8-14)19-15(24)10-29-18-22-21-17(30-18)20-16(25)11-3-2-4-13(9-11)23(26)27/h2-9H,10H2,1H3,(H,19,24)(H,20,21,25)