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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C)CCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H23N3O2S/c1-14(2)11-12-22-19(25)16-9-7-15(8-10-16)13-24-20(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)