N-(3-methylbutyl)-2-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]ethanamide

Systemtic Name: N-(3-methylbutyl)-2-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]ethanamide Openeye Name: N-isopentyl-2-[4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]acetamide CAS Name: N-(3-methylbutyl)-2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]acetamide IUPAC Name: N-(3-methylbutyl)-2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]acetamide Traditional Name: N-isoamyl-2-[4-(4-keto-2-thioxo-1H-quinazolin-3-yl)phenyl]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C)CCNC(=O)CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H23N3O2S/c1-14(2)11-12-22-19(25)13-15-7-9-16(10-8-15)24-20(26)17-5-3-4-6-18(17)23-21(24)27/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,27)