(3-chloranyl-6-methyl-1-benzothiophen-2-yl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-6-methyl-1-benzothiophen-2-yl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone Openeye Name: (3-chloro-6-methyl-benzothiophen-2-yl)-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]methanone CAS Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone Traditional Name: (3-chloro-6-methyl-benzothiophen-2-yl)-[4-[2-(4-pyridyl)ethyl]piperazino]methanone Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)CCC4=CC=NC=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)CCC4=CC=NC=C4)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-15-2-3-17-18(14-15)27-20(19(17)22)21(26)25-12-10-24(11-13-25)9-6-16-4-7-23-8-5-16/h2-5,7-8,14H,6,9-13H2,1H3