(2S)-2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-propanamide

Systemtic Name: (2S)-2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-propanamide Openeye Name: (2S)-2-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclohexyl-propanamide CAS Name: (2S)-2-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-N-cyclohexylpropanamide IUPAC Name: (2S)-2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide Traditional Name: (2S)-2-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]-N-cyclohexyl-propionamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C22H24ClN3O3S/c1-14(20(27)24-16-6-3-2-4-7-16)30-22-25-19-12-15(23)9-10-18(19)21(28)26(22)13-17-8-5-11-29-17/h5,8-12,14,16H,2-4,6-7,13H2,1H3,(H,24,27)/t14-/m0/s1