N-[[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioylamino]methyl]ethanamide

Systemtic Name: N-[[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioylamino]methyl]ethanamide Openeye Name: N-[[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioylamino]methyl]acetamide CAS Name: N-[[[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]amino]methyl]acetamide IUPAC Name: N-[[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioylamino]methyl]acetamide Traditional Name: N-[[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoylamino]methyl]acetamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCNC(=S)NC1=CC=C(C=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC

Isomeric SMILES

CC(=O)NCNC(=S)NC1=CC=C(C=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC

InChI

InChI=1S/C20H21N5O4S/c1-12(26)21-10-24-20(30)25-13-4-6-14(7-5-13)29-19-15-8-17(27-2)18(28-3)9-16(15)22-11-23-19/h4-9,11H,10H2,1-3H3,(H,21,26)(H2,24,25,30)