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

Systemtic Name: 1-(2,5-diethoxyphenyl)-3-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-(2,5-diethoxyphenyl)-3-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(2,5-diethoxyphenyl)-3-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-(2,5-diethoxyphenyl)-3-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-(2,5-diethoxyphenyl)-3-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)OCC)OCC)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NC3=C(C=CC(=C3)OCC)OCC)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C26H27N3O4S/c1-4-29-21-15-17(11-14-24(21)34-23-10-8-7-9-19(23)25(29)30)27-26(31)28-20-16-18(32-5-2)12-13-22(20)33-6-3/h7-16H,4-6H2,1-3H3,(H2,27,28,31)