1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-(thiophen-2-ylmethyl)urea

Systemtic Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-(thiophen-2-ylmethyl)urea Openeye Name: 1-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(2-thienylmethyl)urea CAS Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(thiophen-2-ylmethyl)urea IUPAC Name: 1-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(thiophen-2-ylmethyl)urea Traditional Name: 1-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(2-thenyl)urea Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CS3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CS3)OCC(C1=O)(C)C

InChI

InChI=1S/C21H27N3O3S/c1-14(2)12-24-17-10-15(23-20(26)22-11-16-6-5-9-28-16)7-8-18(17)27-13-21(3,4)19(24)25/h5-10,14H,11-13H2,1-4H3,(H2,22,23,26)