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

Systemtic Name: 4-nitro-N-[5-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: 4-nitro-N-[5-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-nitro-N-[5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[(2-cumidino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C20H19N5O4S2 MolecularWeight: 457.52596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4S2/c1-12(2)13-3-7-15(8-4-13)21-17(26)11-30-20-24-23-19(31-20)22-18(27)14-5-9-16(10-6-14)25(28)29/h3-10,12H,11H2,1-2H3,(H,21,26)(H,22,23,27)