1-(2-methylcyclohexyl)-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea

Systemtic Name: 1-(2-methylcyclohexyl)-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-(2-methylcyclohexyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(2-methylcyclohexyl)-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-(2-methylcyclohexyl)-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)-3-(2-methylcyclohexyl)urea Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CC1CCCCC1NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C22H25N3O2S/c1-14-7-3-5-9-17(14)24-22(27)23-15-11-12-20-18(13-15)25(2)21(26)16-8-4-6-10-19(16)28-20/h4,6,8,10-14,17H,3,5,7,9H2,1-2H3,(H2,23,24,27)