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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-(2,5-dimethylphenyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(2,5-dimethylphenyl)-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-(2,5-dimethylphenyl)-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-(2,5-dimethylphenyl)-3-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C23H21N3O2S/c1-14-8-9-15(2)18(12-14)25-23(28)24-16-10-11-21-19(13-16)26(3)22(27)17-6-4-5-7-20(17)29-21/h4-13H,1-3H3,(H2,24,25,28)