2-[(4-ethenylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 3-isobutyl-N-isopropyl-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-3-(2-methylpropyl)-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 3-isobutyl-N-isopropyl-4-keto-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C)N=C1SCC3=CC=C(C=C3)C=C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C)N=C1SCC3=CC=C(C=C3)C=C

InChI

InChI=1S/C25H29N3O2S/c1-6-18-7-9-19(10-8-18)15-31-25-27-22-13-20(23(29)26-17(4)5)11-12-21(22)24(30)28(25)14-16(2)3/h6-13,16-17H,1,14-15H2,2-5H3,(H,26,29)