[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone

Systemtic Name: [3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone CAS Name: [3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[2-methoxy-4-(methylthio)phenyl]methanone IUPAC Name: [3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone Traditional Name: [3-(1,3-benzothiazol-2-yl)piperidino]-[2-methoxy-4-(methylthio)phenyl]methanone Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O2S2/c1-25-18-12-15(26-2)9-10-16(18)21(24)23-11-5-6-14(13-23)20-22-17-7-3-4-8-19(17)27-20/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3