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

Systemtic Name: 1-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]thiourea CAS Name: 1-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]-3-p-cumenyl-thiourea Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C21H24N4O3S/c1-14(2)15-7-9-16(10-8-15)22-21(29)24-23-19(26)13-25-17-5-3-4-6-18(17)28-12-11-20(25)27/h3-10,14H,11-13H2,1-2H3,(H,23,26)(H2,22,24,29)