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

Systemtic Name: 6-chloranyl-N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-6-chloro-pyridine-3-carboxamide CAS Name: 6-chloro-N-[3-[oxo-[(phenylmethyl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6-chloropyridine-3-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-6-chloro-nicotinamide Formula: C22H20ClN3O2S MolecularWeight: 425.9311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=C(C=C3)Cl)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CN=C(C=C3)Cl)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O2S/c23-18-11-10-15(13-24-18)20(27)26-22-19(16-8-4-5-9-17(16)29-22)21(28)25-12-14-6-2-1-3-7-14/h1-3,6-7,10-11,13H,4-5,8-9,12H2,(H,25,28)(H,26,27)