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

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-[(4-ethoxyphenyl)methyl]-3-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-[(4-ethoxyphenyl)methyl]-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-(4-ethoxybenzyl)-3-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C24H23N3O3S MolecularWeight: 433.52272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C24H23N3O3S/c1-3-30-18-11-8-16(9-12-18)15-25-24(29)26-17-10-13-22-20(14-17)27(2)23(28)19-6-4-5-7-21(19)31-22/h4-14H,3,15H2,1-2H3,(H2,25,26,29)