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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(2-phenylsulfanylethyl)piperidine-1-carbothioamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(2-phenylsulfanylethyl)piperidine-1-carbothioamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(phenylthio)ethyl]-1-piperidinecarbothioamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(2-phenylsulfanylethyl)piperidine-1-carbothioamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(phenylthio)ethyl]piperidine-1-carbothioamide Formula: C21H23N3S3 MolecularWeight: 413.62242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NCCSC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(CN(C1)C(=S)NCCSC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3S3/c25-21(22-12-14-26-17-8-2-1-3-9-17)24-13-6-7-16(15-24)20-23-18-10-4-5-11-19(18)27-20/h1-5,8-11,16H,6-7,12-15H2,(H,22,25)