2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-5-methylhexan-2-yl]ethanamide

Systemtic Name: 2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-5-methylhexan-2-yl]ethanamide Openeye Name: 2-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1,4-dimethylpentyl]acetamide CAS Name: 2-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-N-[(2S)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-5-methylhexan-2-yl]acetamide Traditional Name: 2-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]-N-[(1S)-1,4-dimethylpentyl]acetamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CO3

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C22H26ClN3O3S/c1-14(2)6-7-15(3)24-20(27)13-30-22-25-19-11-16(23)8-9-18(19)21(28)26(22)12-17-5-4-10-29-17/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,24,27)/t15-/m0/s1