(2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide

Systemtic Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-[4-morpholinyl(oxo)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2R)-N-[(1S,2S)-2-methylcyclohexyl]-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N2CC(OC3=CC=CC=C32)C(=O)N4CCOCC4

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N2C[C@@H](OC3=CC=CC=C32)C(=O)N4CCOCC4

InChI

InChI=1S/C21H29N3O3S/c1-15-6-2-3-7-16(15)22-21(28)24-14-19(20(25)23-10-12-26-13-11-23)27-18-9-5-4-8-17(18)24/h4-5,8-9,15-16,19H,2-3,6-7,10-14H2,1H3,(H,22,28)/t15-,16-,19+/m0/s1