2-[(3-methylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-isobutyl-2-(m-tolylmethylsulfanyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(3-methylphenyl)methylthio]-3-(2-methylpropyl)-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-isobutyl-4-keto-2-[(3-methylbenzyl)thio]-N-propyl-quinazoline-7-carboxamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC(=C3)C)CC(C)C

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC(=C3)C)CC(C)C

InChI

InChI=1S/C24H29N3O2S/c1-5-11-25-22(28)19-9-10-20-21(13-19)26-24(27(23(20)29)14-16(2)3)30-15-18-8-6-7-17(4)12-18/h6-10,12-13,16H,5,11,14-15H2,1-4H3,(H,25,28)