N-(3-cyano-3-methyl-butan-2-yl)-4-[4-methyl-5-(3-oxidanylcyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: N-(3-cyano-3-methyl-butan-2-yl)-4-[4-methyl-5-(3-oxidanylcyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(2-cyano-1,2-dimethyl-propyl)-4-[5-(3-hydroxycyclohexyl)imino-4-methyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-(3-cyano-3-methylbutan-2-yl)-4-[5-(3-hydroxycyclohexyl)imino-4-methyl-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(3-cyano-3-methylbutan-2-yl)-4-[5-(3-hydroxycyclohexyl)imino-4-methyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-(2-cyano-1,2-dimethyl-propyl)-4-[5-(3-hydroxycyclohexyl)imino-4-methyl-1,3,4-thiadiazol-2-yl]benzamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C#N)NC(=O)C1=CC=C(C=C1)C2=NN(C(=NC3CCCC(C3)O)S2)C

Isomeric SMILES

CC(C(C)(C)C#N)NC(=O)C1=CC=C(C=C1)C2=NN(C(=NC3CCCC(C3)O)S2)C

InChI

InChI=1S/C22H29N5O2S/c1-14(22(2,3)13-23)24-19(29)15-8-10-16(11-9-15)20-26-27(4)21(30-20)25-17-6-5-7-18(28)12-17/h8-11,14,17-18,28H,5-7,12H2,1-4H3,(H,24,29)