[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone Openeye Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-[(3S)-3-methyl-1-piperidyl]methanone CAS Name: [4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-[(3S)-3-methyl-1-piperidinyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone Traditional Name: [4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-[(3S)-3-methylpiperidino]methanone Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2OS2/c1-15-5-4-12-23(13-15)20(24)17-10-8-16(9-11-17)14-25-21-22-18-6-2-3-7-19(18)26-21/h2-3,6-11,15H,4-5,12-14H2,1H3/t15-/m0/s1