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

Systemtic Name: 1-ethyl-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-ethyl-3-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-ethyl-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-ethyl-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-benzyl-1-ethyl-3-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C24H23N3O2S/c1-3-27(16-17-9-5-4-6-10-17)24(29)25-18-13-14-22-20(15-18)26(2)23(28)19-11-7-8-12-21(19)30-22/h4-15H,3,16H2,1-2H3,(H,25,29)