N-[(2S)-1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2S)-1-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-carbamoyl]-3-methylsulfanyl-propyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-1-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl-ethyl-carbamoyl]-3-(methylthio)propyl]-3-methyl-benzamide Formula: C24H27ClN4O3S MolecularWeight: 487.01418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C(CCSC)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)[C@H](CCSC)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C24H27ClN4O3S/c1-4-29(14-21-26-20-13-17(25)8-9-18(20)23(31)28-21)24(32)19(10-11-33-3)27-22(30)16-7-5-6-15(2)12-16/h5-9,12-13,19H,4,10-11,14H2,1-3H3,(H,27,30)(H,26,28,31)/t19-/m0/s1