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

Systemtic Name: N-[3-[(4-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: N-[3-[(4-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide CAS Name: N-[3-[(4-methoxyanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[3-[(4-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Traditional Name: N-[3-[(4-methoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H21N3O3S/c1-28-16-10-8-15(9-11-16)24-21(27)19-17-6-2-3-7-18(17)29-22(19)25-20(26)14-5-4-12-23-13-14/h4-5,8-13H,2-3,6-7H2,1H3,(H,24,27)(H,25,26)