4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-N-(6-methylpyridin-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-N-(6-methylpyridin-3-yl)piperazine-1-carboxamide Openeye Name: 4-[(3-chlorobenzothiophen-2-yl)methyl]-N-(6-methyl-3-pyridyl)piperazine-1-carboxamide CAS Name: 4-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-(6-methyl-3-pyridinyl)-1-piperazinecarboxamide IUPAC Name: 4-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-(6-methylpyridin-3-yl)piperazine-1-carboxamide Traditional Name: 4-[(3-chlorobenzothiophen-2-yl)methyl]-N-(6-methyl-3-pyridyl)piperazine-1-carboxamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)N2CCN(CC2)CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)N2CCN(CC2)CC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-14-6-7-15(12-22-14)23-20(26)25-10-8-24(9-11-25)13-18-19(21)16-4-2-3-5-17(16)27-18/h2-7,12H,8-11,13H2,1H3,(H,23,26)