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

Systemtic Name: 1-(3-methylbutyl)-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-isopentyl-3-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(3-methylbutyl)-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-(3-methylbutyl)-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-isoamyl-3-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C)CCNC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C20H23N3O2S/c1-13(2)10-11-21-20(25)22-14-8-9-18-16(12-14)23(3)19(24)15-6-4-5-7-17(15)26-18/h4-9,12-13H,10-11H2,1-3H3,(H2,21,22,25)