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

Systemtic Name: N-(4-butylphenyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(4-butylphenyl)-2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(4-butylphenyl)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(4-butylphenyl)-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(4-butylphenyl)-2-(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)C(C)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C(C)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H23N3O2S/c1-3-4-7-15-10-12-16(13-11-15)22-19(25)14(2)24-20(26)17-8-5-6-9-18(17)23-21(24)27/h5-6,8-14H,3-4,7H2,1-2H3,(H,22,25)(H,23,27)