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

Systemtic Name: N-[6-(diethylamino)pyridin-3-yl]-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide Openeye Name: N-[6-(diethylamino)-3-pyridyl]-4-[(3-methylbenzothiophen-2-yl)methyl]piperazine-1-carboxamide CAS Name: N-[6-(diethylamino)-3-pyridinyl]-4-[(3-methyl-1-benzothiophen-2-yl)methyl]-1-piperazinecarboxamide IUPAC Name: N-[6-(diethylamino)pyridin-3-yl]-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide Traditional Name: N-[6-(diethylamino)-3-pyridyl]-4-[(3-methylbenzothiophen-2-yl)methyl]piperazine-1-carboxamide Formula: C24H31N5OS MolecularWeight: 437.60084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5OS/c1-4-28(5-2)23-11-10-19(16-25-23)26-24(30)29-14-12-27(13-15-29)17-22-18(3)20-8-6-7-9-21(20)31-22/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,26,30)