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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-N-isobutyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methylthio]-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-N-isobutyl-4-keto-2-(m-anisylthio)quinazoline-7-carboxamide Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC(C)C)N=C2SCC4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC(C)C)N=C2SCC4=CC(=CC=C4)OC)C

InChI

InChI=1S/C29H31N3O3S/c1-18(2)16-30-27(33)22-9-10-25-26(15-22)31-29(36-17-21-7-6-8-24(14-21)35-5)32(28(25)34)23-12-19(3)11-20(4)13-23/h6-15,18H,16-17H2,1-5H3,(H,30,33)