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

Systemtic Name: 1-cyclopentyl-3-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-cyclopentyl-3-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-cyclopentyl-3-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-cyclopentyl-3-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-cyclopentyl-3-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NC3CCCC3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NC3CCCC3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C21H23N3O2S/c1-2-24-17-13-15(23-21(26)22-14-7-3-4-8-14)11-12-19(17)27-18-10-6-5-9-16(18)20(24)25/h5-6,9-14H,2-4,7-8H2,1H3,(H2,22,23,26)