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

Systemtic Name: 1-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-(2-methoxyphenyl)urea Openeye Name: 1-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3-(2-methoxyphenyl)urea CAS Name: 1-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-3-(2-methoxyphenyl)urea IUPAC Name: 1-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-(2-methoxyphenyl)urea Traditional Name: 1-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3-(2-methoxyphenyl)urea Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3OC)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=CC=C3OC)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H21N3O3S/c1-3-26-18-14-15(24-23(28)25-17-9-5-6-10-19(17)29-2)12-13-21(18)30-20-11-7-4-8-16(20)22(26)27/h4-14H,3H2,1-2H3,(H2,24,25,28)