N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-dichloro-3-methyl-phenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(2,6-dichloro-3-methylphenyl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2,6-dichloro-3-methylphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2,6-dichloro-3-methyl-phenyl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C18H15Cl2N3OS MolecularWeight: 392.3022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C)Cl

InChI

InChI=1S/C18H15Cl2N3OS/c1-10-7-8-13(19)17(16(10)20)23-15(24)9-25-18-12-5-3-4-6-14(12)21-11(2)22-18/h3-8H,9H2,1-2H3,(H,23,24)