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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC=C3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC=C3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H21N3O2S/c1-2-26-19-14-17(25-23(28)24-15-16-8-4-3-5-9-16)12-13-21(19)29-20-11-7-6-10-18(20)22(26)27/h3-14H,2,15H2,1H3,(H2,24,25,28)