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

Systemtic Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3-(thiophen-2-ylmethyl)urea Openeye Name: 1-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-3-(2-thienylmethyl)urea CAS Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(thiophen-2-ylmethyl)urea IUPAC Name: 1-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3-(thiophen-2-ylmethyl)urea Traditional Name: 1-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-3-(2-thenyl)urea Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CS3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CS3)OCC(C1=O)(C)C

InChI

InChI=1S/C22H29N3O3S/c1-15(2)9-10-25-18-12-16(24-21(27)23-13-17-6-5-11-29-17)7-8-19(18)28-14-22(3,4)20(25)26/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H2,23,24,27)