2-(4-aminocarbonylphenyl)-4-[4-methyl-5-(3-oxidanylidenecyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-(4-aminocarbonylphenyl)-4-[4-methyl-5-(3-oxidanylidenecyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-(4-carbamoylphenyl)-4-[4-methyl-5-(3-oxocyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-(4-carbamoylphenyl)-4-[4-methyl-5-(3-oxocyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-(4-carbamoylphenyl)-4-[4-methyl-5-(3-oxocyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-(4-carbamoylphenyl)-4-[5-(3-ketocyclohexyl)imino-4-methyl-1,3,4-thiadiazol-2-yl]benzamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2CCCC(=O)C2)SC(=N1)C3=CC(=C(C=C3)C(=O)N)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CN1C(=NC2CCCC(=O)C2)SC(=N1)C3=CC(=C(C=C3)C(=O)N)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C23H23N5O3S/c1-28-23(26-16-3-2-4-17(29)12-16)32-22(27-28)15-9-10-18(21(25)31)19(11-15)13-5-7-14(8-6-13)20(24)30/h5-11,16H,2-4,12H2,1H3,(H2,24,30)(H2,25,31)