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

Systemtic Name: N-[6-(methylamino)pyridin-3-yl]-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide Openeye Name: N-[6-(methylamino)-3-pyridyl]-4-[(3-methylbenzothiophen-2-yl)methyl]piperazine-1-carboxamide CAS Name: N-[6-(methylamino)-3-pyridinyl]-4-[(3-methyl-1-benzothiophen-2-yl)methyl]-1-piperazinecarboxamide IUPAC Name: N-[6-(methylamino)pyridin-3-yl]-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide Traditional Name: N-[6-(methylamino)-3-pyridyl]-4-[(3-methylbenzothiophen-2-yl)methyl]piperazine-1-carboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5OS/c1-15-17-5-3-4-6-18(17)28-19(15)14-25-9-11-26(12-10-25)21(27)24-16-7-8-20(22-2)23-13-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,23)(H,24,27)