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

Systemtic Name: N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxidanylidene-propyl]-4-nitro-N-phenethyl-benzamide Openeye Name: N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxo-propyl]-4-nitro-N-phenethyl-benzamide CAS Name: N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-4-nitro-N-phenethylbenzamide IUPAC Name: N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-4-nitro-N-phenethylbenzamide Traditional Name: N-[3-keto-3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]propyl]-4-nitro-N-phenethyl-benzamide Formula: C27H25N5O5S MolecularWeight: 531.5829

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCN(CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCN(CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O5S/c1-37-23-13-9-20(10-14-23)25-29-30-27(38-25)28-24(33)16-18-31(17-15-19-5-3-2-4-6-19)26(34)21-7-11-22(12-8-21)32(35)36/h2-14H,15-18H2,1H3,(H,28,30,33)