N-[4-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]phenyl]butanamide CAS Name: N-[4-[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(2-methylquinazolin-4-yl)thio]acetyl]phenyl]butyramide Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C21H21N3O2S/c1-3-6-20(26)24-16-11-9-15(10-12-16)19(25)13-27-21-17-7-4-5-8-18(17)22-14(2)23-21/h4-5,7-12H,3,6,13H2,1-2H3,(H,24,26)