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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoylamino]thiourea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethyl]amino]thiourea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]-3-p-anisyl-thiourea Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NNC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NNC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C20H22N4O4S/c1-27-15-8-6-14(7-9-15)12-21-20(29)23-22-18(25)13-24-16-4-2-3-5-17(16)28-11-10-19(24)26/h2-9H,10-13H2,1H3,(H,22,25)(H2,21,23,29)