N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(2-thienyl)butanamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-4-(2-thienyl)butyramide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCCC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCCC3=CC=CS3)C

InChI

InChI=1S/C20H21N3OS2/c1-14-13-15(2)22-20(21-14)26-18-10-8-16(9-11-18)23-19(24)7-3-5-17-6-4-12-25-17/h4,6,8-13H,3,5,7H2,1-2H3,(H,23,24)