N-[4-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-[(4,6-dimethylpyrimidin-2-yl)thio]anilino]-4-keto-butyl]thiophene-2-carboxamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCCNC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCCNC(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H22N4O2S2/c1-14-13-15(2)24-21(23-14)29-17-9-7-16(8-10-17)25-19(26)6-3-11-22-20(27)18-5-4-12-28-18/h4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,22,27)(H,25,26)