N-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]piperidine-1-carbothioamide

Systemtic Name: N-[(3S,4R)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]piperidine-1-carbothioamide Openeye Name: N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]piperidine-1-carbothioamide CAS Name: N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-1-piperidinecarbothioamide IUPAC Name: N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-1-carbothioamide Traditional Name: N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]piperidine-1-carbothioamide Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=S)N3CCCCC3)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)NC(=S)N3CCCCC3)O)C

InChI

InChI=1S/C18H23N3O2S/c1-18(2)16(22)15(20-17(24)21-8-4-3-5-9-21)13-10-12(11-19)6-7-14(13)23-18/h6-7,10,15-16,22H,3-5,8-9H2,1-2H3,(H,20,24)/t15-,16+/m1/s1