1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-chlorophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-chlorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(4-chlorophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-[(4-chlorophenyl)thio]-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-chlorophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-3-[(4-chlorophenyl)thio]propan-1-one Formula: C21H21ClN2OS2 MolecularWeight: 416.98724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2OS2/c22-16-5-7-17(8-6-16)26-14-11-20(25)24-12-9-15(10-13-24)21-23-18-3-1-2-4-19(18)27-21/h1-8,15H,9-14H2