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

Systemtic Name: 1-[6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-3-yl]-3-phenethyl-urea Openeye Name: 1-(5-benzyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3-phenethyl-urea CAS Name: 1-[6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinyl]-3-phenethylurea IUPAC Name: 1-(5-benzyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-phenethylurea Traditional Name: 1-(5-benzyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3-phenethyl-urea Formula: C29H25N3O2S MolecularWeight: 479.5927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C29H25N3O2S/c33-28-24-13-7-8-14-26(24)35-27-16-15-23(19-25(27)32(28)20-22-11-5-2-6-12-22)31-29(34)30-18-17-21-9-3-1-4-10-21/h1-16,19H,17-18,20H2,(H2,30,31,34)