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

Systemtic Name: 1-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-[(2-methylphenyl)methyl]urea Openeye Name: 1-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3-(o-tolylmethyl)urea CAS Name: 1-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-3-[(2-methylphenyl)methyl]urea IUPAC Name: 1-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-[(2-methylphenyl)methyl]urea Traditional Name: 1-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)-3-(2-methylbenzyl)urea Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C23H21N3O2S/c1-15-7-3-4-8-16(15)14-24-23(28)25-17-11-12-21-19(13-17)26(2)22(27)18-9-5-6-10-20(18)29-21/h3-13H,14H2,1-2H3,(H2,24,25,28)