1-(4-ethanoylphenyl)-3-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea

Systemtic Name: 1-(4-ethanoylphenyl)-3-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-(4-acetylphenyl)-3-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(4-acetylphenyl)-3-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-(4-acetylphenyl)-3-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-(4-acetylphenyl)-3-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(=O)C)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(=O)C)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C24H21N3O3S/c1-3-27-20-14-18(26-24(30)25-17-10-8-16(9-11-17)15(2)28)12-13-22(20)31-21-7-5-4-6-19(21)23(27)29/h4-14H,3H2,1-2H3,(H2,25,26,30)