(2S)-N-(3-ethylphenyl)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide

Systemtic Name: (2S)-N-(3-ethylphenyl)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-(3-ethylphenyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-N-(3-ethylphenyl)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-N-(3-ethylphenyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-(3-ethylphenyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CC(OC3=CC=CC=C32)C(=O)N4CCCCC4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2C[C@H](OC3=CC=CC=C32)C(=O)N4CCCCC4

InChI

InChI=1S/C23H27N3O2S/c1-2-17-9-8-10-18(15-17)24-23(29)26-16-21(22(27)25-13-6-3-7-14-25)28-20-12-5-4-11-19(20)26/h4-5,8-12,15,21H,2-3,6-7,13-14,16H2,1H3,(H,24,29)/t21-/m0/s1