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

Systemtic Name: 1-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-(3-methylsulfanylphenyl)urea Openeye Name: 1-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3-(3-methylsulfanylphenyl)urea CAS Name: 1-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3-[3-(methylthio)phenyl]urea Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2S2/c1-3-26-19-14-16(25-23(28)24-15-7-6-8-17(13-15)29-2)11-12-21(19)30-20-10-5-4-9-18(20)22(26)27/h4-14H,3H2,1-2H3,(H2,24,25,28)