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

Systemtic Name: N-[6-(dimethylamino)pyridin-3-yl]-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide Openeye Name: N-[6-(dimethylamino)-3-pyridyl]-4-[(3-methylbenzothiophen-2-yl)methyl]piperazine-1-carboxamide CAS Name: N-[6-(dimethylamino)-3-pyridinyl]-4-[(3-methyl-1-benzothiophen-2-yl)methyl]-1-piperazinecarboxamide IUPAC Name: N-[6-(dimethylamino)pyridin-3-yl]-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide Traditional Name: N-[6-(dimethylamino)-3-pyridyl]-4-[(3-methylbenzothiophen-2-yl)methyl]piperazine-1-carboxamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CN3CCN(CC3)C(=O)NC4=CN=C(C=C4)N(C)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CN3CCN(CC3)C(=O)NC4=CN=C(C=C4)N(C)C

InChI

InChI=1S/C22H27N5OS/c1-16-18-6-4-5-7-19(18)29-20(16)15-26-10-12-27(13-11-26)22(28)24-17-8-9-21(23-14-17)25(2)3/h4-9,14H,10-13,15H2,1-3H3,(H,24,28)