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

Systemtic Name: 1-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-(2-methylphenyl)urea Openeye Name: 1-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3-(o-tolyl)urea CAS Name: 1-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-3-(2-methylphenyl)urea IUPAC Name: 1-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-(2-methylphenyl)urea Traditional Name: 1-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)-3-(o-tolyl)urea Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C22H19N3O2S/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/h3-13H,1-2H3,(H2,23,24,27)