1-(4-chlorophenyl)-3-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]thiourea CAS Name: 1-(4-chlorophenyl)-3-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethyl]amino]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]thiourea Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)NNC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)NNC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4O3S/c19-12-5-7-13(8-6-12)20-18(27)22-21-16(24)11-23-14-3-1-2-4-15(14)26-10-9-17(23)25/h1-8H,9-11H2,(H,21,24)(H2,20,22,27)