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

Systemtic Name: 1-(3-methoxyphenyl)-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-(3-methoxyphenyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(3-methoxyphenyl)-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-(3-methoxyphenyl)-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-(3-methoxyphenyl)urea Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)OC)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)NC3=CC(=CC=C3)OC)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C22H19N3O3S/c1-25-18-13-15(24-22(27)23-14-6-5-7-16(12-14)28-2)10-11-20(18)29-19-9-4-3-8-17(19)21(25)26/h3-13H,1-2H3,(H2,23,24,27)