(3R)-3-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-1-carbothioamide

Systemtic Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-1-carbothioamide Openeye Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-1-carbothioamide CAS Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]-1-piperidinecarbothioamide IUPAC Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-1-carbothioamide Traditional Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-p-anisyl-piperidine-1-carbothioamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3OS2/c1-25-17-10-8-15(9-11-17)13-22-21(26)24-12-4-5-16(14-24)20-23-18-6-2-3-7-19(18)27-20/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,22,26)/t16-/m1/s1