1-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-3-thiophen-2-yl-urea

Systemtic Name: 1-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-3-thiophen-2-yl-urea Openeye Name: 1-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-3-(2-thienyl)urea CAS Name: 1-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-3-thiophen-2-ylurea IUPAC Name: 1-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3-thiophen-2-ylurea Traditional Name: 1-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)-3-(2-thienyl)urea Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)NC4=CC=CS4)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)NC4=CC=CS4)C(=O)N2C

InChI

InChI=1S/C20H17N3O3S/c1-12-5-7-17-15(10-12)23(2)19(24)14-11-13(6-8-16(14)26-17)21-20(25)22-18-4-3-9-27-18/h3-11H,1-2H3,(H2,21,22,25)