2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-isopropyl-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(4-methoxyphenyl)-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-N-isopropyl-4-keto-3-(4-methoxyphenyl)quinazoline-7-carboxamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NC(C)C)C(=O)N2C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)NC(C)C)C(=O)N2C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H29N3O3S/c1-17(2)29-26(32)20-8-13-24-25(15-20)30-28(35-16-21-14-18(3)6-7-19(21)4)31(27(24)33)22-9-11-23(34-5)12-10-22/h6-15,17H,16H2,1-5H3,(H,29,32)