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

Systemtic Name: 1-cyclopropyl-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-cyclopropyl-3-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-cyclopropyl-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-cyclopropyl-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-cyclopropyl-3-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)NC3CC3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)NC3CC3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C18H17N3O2S/c1-21-14-10-12(20-18(23)19-11-6-7-11)8-9-16(14)24-15-5-3-2-4-13(15)17(21)22/h2-5,8-11H,6-7H2,1H3,(H2,19,20,23)