1-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-[(4-propan-2-yloxyphenyl)methyl]urea

Systemtic Name: 1-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-[(4-propan-2-yloxyphenyl)methyl]urea Openeye Name: 1-[(4-isopropoxyphenyl)methyl]-3-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea IUPAC Name: 1-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-[(4-propan-2-yloxyphenyl)methyl]urea Traditional Name: 1-(4-isopropoxybenzyl)-3-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C25H25N3O3S/c1-16(2)31-19-11-8-17(9-12-19)15-26-25(30)27-18-10-13-23-21(14-18)28(3)24(29)20-6-4-5-7-22(20)32-23/h4-14,16H,15H2,1-3H3,(H2,26,27,30)