N-(4-butylphenyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-(4-butylphenyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(4-butylphenyl)-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(4-butylphenyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(4-butylphenyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(4-butylphenyl)-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H23N3O2S/c1-2-3-6-15-9-11-16(12-10-15)22-19(25)13-14-24-20(26)17-7-4-5-8-18(17)23-21(24)27/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,22,25)(H,23,27)