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

Systemtic Name: N-[3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: N-[3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide CAS Name: N-[3-[(3-chloroanilino)-oxomethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Traditional Name: N-[3-[(3-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC(=CC=C3)Cl)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC(=CC=C3)Cl)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H20ClN3O2S/c1-13-7-8-17-18(10-13)29-22(26-20(27)14-4-3-9-24-12-14)19(17)21(28)25-16-6-2-5-15(23)11-16/h2-6,9,11-13H,7-8,10H2,1H3,(H,25,28)(H,26,27)