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

Systemtic Name: (2S)-N-(3-methylsulfanylpropyl)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-(3-methylsulfanylpropyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-N-[3-(methylthio)propyl]-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-N-(3-methylsulfanylpropyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-[3-(methylthio)propyl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C19H27N3O2S2 MolecularWeight: 393.56658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2S2/c1-26-13-7-10-20-19(25)22-14-17(18(23)21-11-5-2-6-12-21)24-16-9-4-3-8-15(16)22/h3-4,8-9,17H,2,5-7,10-14H2,1H3,(H,20,25)/t17-/m0/s1