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

Systemtic Name: (2S)-N-(phenylmethyl)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-benzyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-2-[oxo(1-piperidinyl)methyl]-N-(phenylmethyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-N-benzyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-benzyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CN(C3=CC=CC=C3O2)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c26-21(24-13-7-2-8-14-24)20-16-25(18-11-5-6-12-19(18)27-20)22(28)23-15-17-9-3-1-4-10-17/h1,3-6,9-12,20H,2,7-8,13-16H2,(H,23,28)/t20-/m0/s1