N-[2,6-bis(chloranyl)-3-methyl-phenyl]-4-quinazolin-4-ylsulfanyl-butanamide

Systemtic Name: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-4-quinazolin-4-ylsulfanyl-butanamide Openeye Name: N-(2,6-dichloro-3-methyl-phenyl)-4-quinazolin-4-ylsulfanyl-butanamide CAS Name: N-(2,6-dichloro-3-methylphenyl)-4-(4-quinazolinylthio)butanamide IUPAC Name: N-(2,6-dichloro-3-methylphenyl)-4-quinazolin-4-ylsulfanylbutanamide Traditional Name: N-(2,6-dichloro-3-methyl-phenyl)-4-(quinazolin-4-ylthio)butyramide Formula: C19H17Cl2N3OS MolecularWeight: 406.32878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)CCCSC2=NC=NC3=CC=CC=C32)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)CCCSC2=NC=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C19H17Cl2N3OS/c1-12-8-9-14(20)18(17(12)21)24-16(25)7-4-10-26-19-13-5-2-3-6-15(13)22-11-23-19/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,24,25)