1-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-ethylphenyl)ethanone

Systemtic Name: 1-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-ethylphenyl)ethanone Openeye Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-ethylphenyl)ethanone CAS Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-ethylphenyl)ethanone IUPAC Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-ethylphenyl)ethanone Traditional Name: 1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]-2-(4-ethylphenyl)ethanone Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-2-15-3-5-16(6-4-15)13-20(26)24-9-11-25(12-10-24)21-23-18-8-7-17(22)14-19(18)27-21/h3-8,14H,2,9-13H2,1H3