1-[(1S,2S)-2-methylcyclohexyl]-3-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]thiourea

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[1-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]amino]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]thiourea Traditional Name: 1-[[2-(3-keto-1,4-benzoxazin-4-yl)acetyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC(=O)CN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)CN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C18H24N4O3S/c1-12-6-2-3-7-13(12)19-18(26)21-20-16(23)10-22-14-8-4-5-9-15(14)25-11-17(22)24/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,20,23)(H2,19,21,26)/t12-,13-/m0/s1