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

Systemtic Name: 1-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(thiophen-2-ylmethyl)urea Openeye Name: 1-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(2-thienylmethyl)urea CAS Name: 1-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(thiophen-2-ylmethyl)urea IUPAC Name: 1-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(thiophen-2-ylmethyl)urea Traditional Name: 1-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(2-thenyl)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)NCC4=CC=CS4)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)NCC4=CC=CS4)C(=O)N2

InChI

InChI=1S/C20H17N3O3S/c1-12-4-6-18-16(9-12)23-19(24)15-10-13(5-7-17(15)26-18)22-20(25)21-11-14-3-2-8-27-14/h2-10H,11H2,1H3,(H,23,24)(H2,21,22,25)