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

Systemtic Name: 1,1-diethyl-3-[6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-3-yl]urea Openeye Name: 3-(5-benzyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-1,1-diethyl-urea CAS Name: 1,1-diethyl-3-[6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinyl]urea IUPAC Name: 3-(5-benzyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-1,1-diethylurea Traditional Name: 3-(5-benzyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-1,1-diethyl-urea Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c1-3-27(4-2)25(30)26-19-14-15-23-21(16-19)28(17-18-10-6-5-7-11-18)24(29)20-12-8-9-13-22(20)31-23/h5-16H,3-4,17H2,1-2H3,(H,26,30)