(2S)-4-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)N2CC(OC3=CC=CC=C32)C(=O)NC)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)NC)C4CCCC4)C

InChI

InChI=1S/C22H28N4O3S/c1-14-15(2)26(16-8-4-5-9-16)22(24-14)30-13-20(27)25-12-19(21(28)23-3)29-18-11-7-6-10-17(18)25/h6-7,10-11,16,19H,4-5,8-9,12-13H2,1-3H3,(H,23,28)/t19-/m0/s1