2-[2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-methyl-amino]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-methyl-amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[[2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-methyl-amino]-N-cyclopropyl-acetamide CAS Name: 2-[[2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-methylamino]-N-cyclopropylacetamide IUPAC Name: 2-[[2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[[2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]-methyl-amino]-N-cyclopropyl-acetamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)CC(=O)NC4CC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)CC(=O)NC4CC4

InChI

InChI=1S/C26H30N4O3S/c1-3-4-7-18-10-14-20(15-11-18)30-25(33)21-8-5-6-9-22(21)28-26(30)34-17-24(32)29(2)16-23(31)27-19-12-13-19/h5-6,8-11,14-15,19H,3-4,7,12-13,16-17H2,1-2H3,(H,27,31)