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

Systemtic Name: 1-[(2-bromophenyl)methyl]-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-[(2-bromophenyl)methyl]-3-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-[(2-bromophenyl)methyl]-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-[(2-bromophenyl)methyl]-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-(2-bromobenzyl)-3-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC=C3Br)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CC=C3Br)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C22H18BrN3O2S/c1-26-18-12-15(25-22(28)24-13-14-6-2-4-8-17(14)23)10-11-20(18)29-19-9-5-3-7-16(19)21(26)27/h2-12H,13H2,1H3,(H2,24,25,28)