3-[2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanylacetyl]anilino)propanamide CAS Name: 3-(N-[2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)propanamide Traditional Name: 3-(N-[2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetyl]anilino)propionamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3S/c1-19-11-13-20(14-12-19)17-31-26(34)22-9-5-6-10-23(22)29-27(31)35-18-25(33)30(16-15-24(28)32)21-7-3-2-4-8-21/h2-14H,15-18H2,1H3,(H2,28,32)