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

Systemtic Name: (2S)-2-piperidin-1-ylcarbonyl-N-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-isopropyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-2-[oxo(1-piperidinyl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-2-(piperidine-1-carbonyl)-N-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-isopropyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CC(OC2=CC=CC=C21)C(=O)N3CCCCC3

Isomeric SMILES

CC(C)NC(=S)N1C[C@H](OC2=CC=CC=C21)C(=O)N3CCCCC3

InChI

InChI=1S/C18H25N3O2S/c1-13(2)19-18(24)21-12-16(17(22)20-10-6-3-7-11-20)23-15-9-5-4-8-14(15)21/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3,(H,19,24)/t16-/m0/s1