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

Systemtic Name: N-[6-tert-butyl-3-[(2,5-dimethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide Openeye Name: N-[6-tert-butyl-3-[(2,5-dimethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-4-carboxamide CAS Name: N-[6-tert-butyl-3-[(2,5-dimethoxyanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pyridinecarboxamide IUPAC Name: N-[6-tert-butyl-3-[(2,5-dimethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide Traditional Name: N-[6-tert-butyl-3-[(2,5-dimethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]isonicotinamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=C(C=CC(=C3)OC)OC)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=C(C=CC(=C3)OC)OC)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C27H31N3O4S/c1-27(2,3)17-6-8-19-22(14-17)35-26(30-24(31)16-10-12-28-13-11-16)23(19)25(32)29-20-15-18(33-4)7-9-21(20)34-5/h7,9-13,15,17H,6,8,14H2,1-5H3,(H,29,32)(H,30,31)