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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=C(C=C1)NC(=O)N2CCN(CC2)CC3=C(C4=CC=CC=C4S3)C

Isomeric SMILES

CCNC1=NC=C(C=C1)NC(=O)N2CCN(CC2)CC3=C(C4=CC=CC=C4S3)C

InChI

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