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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)-3-p-anisyl-urea Formula: C23H21N3O3S MolecularWeight: 419.49614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)OC)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=C(C=C3)OC)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H21N3O3S/c1-26-19-13-16(25-23(28)24-14-15-7-10-17(29-2)11-8-15)9-12-21(19)30-20-6-4-3-5-18(20)22(26)27/h3-13H,14H2,1-2H3,(H2,24,25,28)