N-[4-[[3-(2-methylpyrimidin-4-yl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[[3-(2-methylpyrimidin-4-yl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[3-(2-methylpyrimidin-4-yl)anilino]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[3-(2-methyl-4-pyrimidinyl)anilino]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[3-(2-methylpyrimidin-4-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-keto-4-[3-(2-methylpyrimidin-4-yl)anilino]butyl]thiophene-3-carboxamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C20H20N4O2S/c1-14-21-10-7-18(23-14)15-4-2-5-17(12-15)24-19(25)6-3-9-22-20(26)16-8-11-27-13-16/h2,4-5,7-8,10-13H,3,6,9H2,1H3,(H,22,26)(H,24,25)