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

Systemtic Name: (2S)-N-butyl-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-butyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-N-butyl-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-N-butyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-butyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2S/c1-2-3-11-20-19(25)22-14-17(18(23)21-12-7-4-8-13-21)24-16-10-6-5-9-15(16)22/h5-6,9-10,17H,2-4,7-8,11-14H2,1H3,(H,20,25)/t17-/m0/s1