N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-quinazolin-4-ylsulfanyl-propanamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-quinazolin-4-ylsulfanyl-propanamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-2-quinazolin-4-ylsulfanyl-propanamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-quinazolinylthio)propanamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-quinazolin-4-ylsulfanylpropanamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-2-(quinazolin-4-ylthio)propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)SC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C21H22N4O2S/c1-13-7-6-8-14(2)19(13)25-18(26)11-22-20(27)15(3)28-21-16-9-4-5-10-17(16)23-12-24-21/h4-10,12,15H,11H2,1-3H3,(H,22,27)(H,25,26)