2-(3,4-dimethylphenyl)sulfanyl-1-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone CAS Name: 2-[(3,4-dimethylphenyl)thio]-1-[(2S)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Traditional Name: 2-[(3,4-dimethylphenyl)thio]-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Formula: C24H28N2O3S MolecularWeight: 424.55572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CC(OC3=CC=CC=C32)C(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)N4CCCCC4)C

InChI

InChI=1S/C24H28N2O3S/c1-17-10-11-19(14-18(17)2)30-16-23(27)26-15-22(24(28)25-12-6-3-7-13-25)29-21-9-5-4-8-20(21)26/h4-5,8-11,14,22H,3,6-7,12-13,15-16H2,1-2H3/t22-/m0/s1