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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CN(C3=CC=CC=C3O2)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c27-22(25-15-7-2-8-16-25)21-17-26(19-11-5-6-12-20(19)28-21)23(29)24-14-13-18-9-3-1-4-10-18/h1,3-6,9-12,21H,2,7-8,13-17H2,(H,24,29)/t21-/m0/s1