4-quinazolin-4-ylsulfanyl-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-quinazolin-4-ylsulfanyl-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-quinazolin-4-ylsulfanyl-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-(4-quinazolinylthio)-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-quinazolin-4-ylsulfanyl-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: N-mesityl-4-(quinazolin-4-ylthio)butyramide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-14-11-15(2)20(16(3)12-14)24-19(25)9-6-10-26-21-17-7-4-5-8-18(17)22-13-23-21/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,24,25)