N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-quinazolinyloxymethyl)-4-morpholinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioamide Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCOC(C2)COC3=NC=NC4=CC=CC=C43)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCOC(C2)COC3=NC=NC4=CC=CC=C43)OC)Cl

InChI

InChI=1S/C22H23ClN4O4S/c1-28-19-10-18(20(29-2)9-16(19)23)26-22(32)27-7-8-30-14(11-27)12-31-21-15-5-3-4-6-17(15)24-13-25-21/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,26,32)