1-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-(thiophen-2-ylmethyl)urea

Systemtic Name: 1-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-(thiophen-2-ylmethyl)urea Openeye Name: 1-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-(2-thienylmethyl)urea CAS Name: 1-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-(thiophen-2-ylmethyl)urea IUPAC Name: 1-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-(thiophen-2-ylmethyl)urea Traditional Name: 1-(4-keto-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-(2-thenyl)urea Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)NCC3=CC=CS3)NC1=O)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)NCC3=CC=CS3)NC1=O)C

InChI

InChI=1S/C17H19N3O3S/c1-17(2)10-23-14-6-5-11(8-13(14)20-15(17)21)19-16(22)18-9-12-4-3-7-24-12/h3-8H,9-10H2,1-2H3,(H,20,21)(H2,18,19,22)