4-[[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-pentyl-benzamide

Systemtic Name: 4-[[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-pentyl-benzamide Openeye Name: 4-[[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]methyl]-N-pentyl-benzamide CAS Name: 4-[[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-pentylbenzamide IUPAC Name: 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-pentylbenzamide Traditional Name: N-amyl-4-[[4-keto-2-[[2-keto-2-(p-toluidino)ethyl]thio]quinazolin-3-yl]methyl]benzamide Formula: C30H32N4O3S MolecularWeight: 528.66508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CCCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C30H32N4O3S/c1-3-4-7-18-31-28(36)23-14-12-22(13-15-23)19-34-29(37)25-8-5-6-9-26(25)33-30(34)38-20-27(35)32-24-16-10-21(2)11-17-24/h5-6,8-17H,3-4,7,18-20H2,1-2H3,(H,31,36)(H,32,35)