1-butan-2-yl-3-[6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-3-yl]urea

Systemtic Name: 1-butan-2-yl-3-[6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-3-yl]urea Openeye Name: 1-(5-benzyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3-sec-butyl-urea CAS Name: 1-butan-2-yl-3-[6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinyl]urea IUPAC Name: 1-(5-benzyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-butan-2-ylurea Traditional Name: 1-(5-benzyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3-sec-butyl-urea Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-3-17(2)26-25(30)27-19-13-14-23-21(15-19)28(16-18-9-5-4-6-10-18)24(29)20-11-7-8-12-22(20)31-23/h4-15,17H,3,16H2,1-2H3,(H2,26,27,30)