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

Systemtic Name: (2S)-2-piperidin-1-ylcarbonyl-N-prop-2-enyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-allyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-2-[oxo(1-piperidinyl)methyl]-N-prop-2-enyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-2-(piperidine-1-carbonyl)-N-prop-2-enyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-allyl-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-2-10-19-18(24)21-13-16(17(22)20-11-6-3-7-12-20)23-15-9-5-4-8-14(15)21/h2,4-5,8-9,16H,1,3,6-7,10-13H2,(H,19,24)/t16-/m0/s1