6-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]-3-(4-methylsulfanylphenoxy)pyridine-2-carboxamide

Systemtic Name: 6-[(4-cyclopropyl-1,4-diazepan-1-yl)carbonyl]-3-(4-methylsulfanylphenoxy)pyridine-2-carboxamide Openeye Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-(4-methylsulfanylphenoxy)pyridine-2-carboxamide CAS Name: 6-[(4-cyclopropyl-1,4-diazepan-1-yl)-oxomethyl]-3-[4-(methylthio)phenoxy]-2-pyridinecarboxamide IUPAC Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-(4-methylsulfanylphenoxy)pyridine-2-carboxamide Traditional Name: 6-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-3-[4-(methylthio)phenoxy]picolinamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC2=C(N=C(C=C2)C(=O)N3CCCN(CC3)C4CC4)C(=O)N

Isomeric SMILES

CSC1=CC=C(C=C1)OC2=C(N=C(C=C2)C(=O)N3CCCN(CC3)C4CC4)C(=O)N

InChI

InChI=1S/C22H26N4O3S/c1-30-17-7-5-16(6-8-17)29-19-10-9-18(24-20(19)21(23)27)22(28)26-12-2-11-25(13-14-26)15-3-4-15/h5-10,15H,2-4,11-14H2,1H3,(H2,23,27)