4-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]-N-phenethyl-butyramide Formula: C32H36N4O5S MolecularWeight: 588.71704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C32H36N4O5S/c1-40-27-15-14-24(21-28(27)41-2)17-19-34-30(38)22-42-32-35-26-12-7-6-11-25(26)31(39)36(32)20-8-13-29(37)33-18-16-23-9-4-3-5-10-23/h3-7,9-12,14-15,21H,8,13,16-20,22H2,1-2H3,(H,33,37)(H,34,38)