2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-(homoveratrylamino)quinazolin-2-yl]thio]acetamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC(=O)NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC(=O)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H28N4O3S/c1-33-23-13-12-19(16-24(23)34-2)14-15-28-26-21-10-6-7-11-22(21)30-27(31-26)35-18-25(32)29-17-20-8-4-3-5-9-20/h3-13,16H,14-15,17-18H2,1-2H3,(H,29,32)(H,28,30,31)