N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-morpholin-4-ylcarbonyl-pyrazine-2-carboxamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-morpholin-4-ylcarbonyl-pyrazine-2-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(morpholine-4-carbonyl)pyrazine-2-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-[4-morpholinyl(oxo)methyl]-2-pyrazinecarboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(morpholine-4-carbonyl)pyrazine-2-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-(morpholine-4-carbonyl)pyrazinamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2=NC=CN=C2C(=O)N3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2=NC=CN=C2C(=O)N3CCOCC3)C

InChI

InChI=1S/C20H24N4O3S/c1-14-3-4-16(13-15(14)2)28-12-7-23-19(25)17-18(22-6-5-21-17)20(26)24-8-10-27-11-9-24/h3-6,13H,7-12H2,1-2H3,(H,23,25)