N-(4-butylphenyl)-2-sulfanyl-ethanamide; 2-propan-2-yl-1H-quinazolin-4-one

Systemtic Name: N-(4-butylphenyl)-2-sulfanyl-ethanamide; 2-propan-2-yl-1H-quinazolin-4-one Openeye Name: N-(4-butylphenyl)-2-sulfanyl-acetamide; 2-isopropyl-1H-quinazolin-4-one CAS Name: N-(4-butylphenyl)-2-mercaptoacetamide; 2-propan-2-yl-1H-quinazolin-4-one IUPAC Name: N-(4-butylphenyl)-2-sulfanylacetamide; 2-propan-2-yl-1H-quinazolin-4-one Traditional Name: N-(4-butylphenyl)-2-mercapto-acetamide; 2-isopropyl-1H-quinazolin-4-one Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CS.CC(C)C1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CS.CC(C)C1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C12H17NOS.C11H12N2O/c1-2-3-4-10-5-7-11(8-6-10)13-12(14)9-15;1-7(2)10-12-9-6-4-3-5-8(9)11(14)13-10/h5-8,15H,2-4,9H2,1H3,(H,13,14);3-7H,1-2H3,(H,12,13,14)