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

Systemtic Name: 1-(2-methoxyethyl)-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-(2-methoxyethyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(2-methoxyethyl)-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-(2-methoxyethyl)-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)-3-(2-methoxyethyl)urea Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)NCCOC)SC3=CC=CC=C3C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)NCCOC)SC3=CC=CC=C3C1=O

InChI

InChI=1S/C18H19N3O3S/c1-21-14-11-12(20-18(23)19-9-10-24-2)7-8-16(14)25-15-6-4-3-5-13(15)17(21)22/h3-8,11H,9-10H2,1-2H3,(H2,19,20,23)