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

Systemtic Name: 1-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-phenethyl-urea Openeye Name: 1-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3-phenethyl-urea CAS Name: 1-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-3-phenethylurea IUPAC Name: 1-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-phenethylurea Traditional Name: 1-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)-3-phenethyl-urea Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)NCCC3=CC=CC=C3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)NCCC3=CC=CC=C3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H21N3O2S/c1-26-19-15-17(25-23(28)24-14-13-16-7-3-2-4-8-16)11-12-21(19)29-20-10-6-5-9-18(20)22(26)27/h2-12,15H,13-14H2,1H3,(H2,24,25,28)