6-chloranyl-N-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[6-methyl-3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[6-methyl-3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[6-methyl-3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[6-methyl-3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-13-4-6-16-17(9-13)30-22(27-20(28)15-5-7-18(23)25-12-15)19(16)21(29)26-11-14-3-2-8-24-10-14/h2-3,5,7-8,10,12-13H,4,6,9,11H2,1H3,(H,26,29)(H,27,28)