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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)urea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-2-yl)urea CAS Name: 1-(3-chloro-2-methylphenyl)-3-(5-ethyl-6-oxo-2-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)urea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-2-yl)urea Formula: C23H20ClN3O2S MolecularWeight: 437.9418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3O2S/c1-3-27-19-12-11-15(25-23(29)26-18-9-6-8-17(24)14(18)2)13-21(19)30-20-10-5-4-7-16(20)22(27)28/h4-13H,3H2,1-2H3,(H2,25,26,29)