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

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3-(2-ethyl-6-methyl-phenyl)urea Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC)C

InChI

InChI=1S/C25H25N3O2S/c1-4-17-10-8-9-16(3)23(17)27-25(30)26-18-13-14-22-20(15-18)28(5-2)24(29)19-11-6-7-12-21(19)31-22/h6-15H,4-5H2,1-3H3,(H2,26,27,30)