7-chloranyl-2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-[(2S)-2-oxidanylpropyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-[(2S)-2-oxidanylpropyl]quinazolin-4-one Openeye Name: 7-chloro-2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-3-[(2S)-2-hydroxypropyl]quinazolin-4-one CAS Name: 7-chloro-2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-3-[(2S)-2-hydroxypropyl]-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-[(2S)-2-hydroxypropyl]quinazolin-4-one Traditional Name: 7-chloro-2-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-3-[(2S)-2-hydroxypropyl]quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C[C@H](C)O

InChI

InChI=1S/C21H21ClN2O3S/c1-12-4-5-13(2)17(8-12)19(26)11-28-21-23-18-9-15(22)6-7-16(18)20(27)24(21)10-14(3)25/h4-9,14,25H,10-11H2,1-3H3/t14-/m0/s1