N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide CAS Name: N-[3-[(cyclopropylamino)-oxomethyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxamide IUPAC Name: N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[3-(cyclopropylcarbamoyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H21N3O4S/c28-22(26-16-6-7-16)15-3-1-4-17(13-15)27-23(29)19-5-2-10-25-24(19)32-18-8-9-20-21(14-18)31-12-11-30-20/h1-5,8-10,13-14,16H,6-7,11-12H2,(H,26,28)(H,27,29)