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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-chlorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-chlorophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-3-[(4-chlorophenyl)thio]-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-chlorophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-3-[(4-chlorophenyl)thio]propan-1-one Formula: C20H20ClN3OS2 MolecularWeight: 417.9753

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3OS2/c21-15-5-7-16(8-6-15)26-14-9-19(25)23-10-12-24(13-11-23)20-22-17-3-1-2-4-18(17)27-20/h1-8H,9-14H2