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

Systemtic Name: (2S)-N-(furan-2-ylmethyl)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Openeye Name: (2S)-N-(2-furylmethyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide CAS Name: (2S)-N-(2-furanylmethyl)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazine-4-carbothioamide IUPAC Name: (2S)-N-(furan-2-ylmethyl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Traditional Name: (2S)-N-(2-furfuryl)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)C(=S)NCC4=CC=CO4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CN(C3=CC=CC=C3O2)C(=S)NCC4=CC=CO4

InChI

InChI=1S/C20H23N3O3S/c24-19(22-10-4-1-5-11-22)18-14-23(16-8-2-3-9-17(16)26-18)20(27)21-13-15-7-6-12-25-15/h2-3,6-9,12,18H,1,4-5,10-11,13-14H2,(H,21,27)/t18-/m0/s1