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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C23H21N3O2S/c1-3-15-8-10-16(11-9-15)24-23(28)25-17-12-13-21-19(14-17)26(2)22(27)18-6-4-5-7-20(18)29-21/h4-14H,3H2,1-2H3,(H2,24,25,28)