N-[(6-methylpyridin-2-yl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: N-[(6-methylpyridin-2-yl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: N-[(6-methyl-2-pyridyl)carbamothioyl]-3-(4-morpholinosulfonylphenyl)prop-2-enamide CAS Name: N-[[(6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: N-[(6-methylpyridin-2-yl)carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: N-[(6-methyl-2-pyridyl)thiocarbamoyl]-3-(4-morpholinosulfonylphenyl)acrylamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=NC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H22N4O4S2/c1-15-3-2-4-18(21-15)22-20(29)23-19(25)10-7-16-5-8-17(9-6-16)30(26,27)24-11-13-28-14-12-24/h2-10H,11-14H2,1H3,(H2,21,22,23,25,29)