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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)N(C)CC3=CC=CC=C3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)N(C)CC3=CC=CC=C3)SC4=CC=CC=C4C1=O

InChI

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