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

Systemtic Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-thiophen-2-yl-urea Openeye Name: 1-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(2-thienyl)urea CAS Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-thiophen-2-ylurea IUPAC Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-thiophen-2-ylurea Traditional Name: 1-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(2-thienyl)urea Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=CS3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC=CS3)OCC(C1=O)(C)C

InChI

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