2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]ethanamide

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]ethanamide Openeye Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-N-[(2,4-dimethylanilino)-oxomethyl]acetamide IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4)C

InChI

InChI=1S/C22H23N5O2S/c1-13-7-10-17(14(2)11-13)24-21(29)26-19(28)12-30-22-25-18-6-4-3-5-16(18)20(27-22)23-15-8-9-15/h3-7,10-11,15H,8-9,12H2,1-2H3,(H,23,25,27)(H2,24,26,28,29)