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

Systemtic Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-phenethyl-piperidine-1-carbothioamide Openeye Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-phenethyl-piperidine-1-carbothioamide CAS Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-phenethyl-1-piperidinecarbothioamide IUPAC Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-phenethylpiperidine-1-carbothioamide Traditional Name: (3R)-3-(1,3-benzothiazol-2-yl)-N-phenethyl-piperidine-1-carbothioamide Formula: C21H23N3S2 MolecularWeight: 381.55742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](CN(C1)C(=S)NCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3S2/c25-21(22-13-12-16-7-2-1-3-8-16)24-14-6-9-17(15-24)20-23-18-10-4-5-11-19(18)26-20/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,22,25)/t17-/m1/s1