(3R)-3-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carbothioamide

Systemtic Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carbothioamide Openeye Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carbothioamide CAS Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-piperidinecarbothioamide IUPAC Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)piperidine-1-carbothioamide Traditional Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-p-phenetyl-piperidine-1-carbothioamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3OS2/c1-2-25-17-11-9-16(10-12-17)22-21(26)24-13-5-6-15(14-24)20-23-18-7-3-4-8-19(18)27-20/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,22,26)/t15-/m1/s1