4-morpholin-4-yl-3-nitro-N-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-4-morpholino-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[3-(phenylmethylthio)-1,2,4-thiadiazol-5-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-(benzylthio)-1,2,4-thiadiazol-5-yl]-4-morpholino-3-nitro-benzamide Formula: C20H19N5O4S2 MolecularWeight: 457.52596

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC(=NS3)SCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC(=NS3)SCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S2/c26-18(21-19-22-20(23-31-19)30-13-14-4-2-1-3-5-14)15-6-7-16(17(12-15)25(27)28)24-8-10-29-11-9-24/h1-7,12H,8-11,13H2,(H,21,22,23,26)