1-[(1S,2S)-2-methylcyclohexyl]-3-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]thiourea

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea Traditional Name: 1-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2=CC3=C(C=C2)OC(C(=O)N3)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NC2=CC3=C(C=C2)O[C@H](C(=O)N3)C

InChI

InChI=1S/C17H23N3O2S/c1-10-5-3-4-6-13(10)20-17(23)18-12-7-8-15-14(9-12)19-16(21)11(2)22-15/h7-11,13H,3-6H2,1-2H3,(H,19,21)(H2,18,20,23)/t10-,11-,13-/m0/s1