methyl 4-methyl-3-[[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]carbothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-methyl-3-[[2-(quinazolin-4-yloxymethyl)morpholin-4-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 4-methyl-3-[[2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 4-methyl-3-[[[2-(4-quinazolinyloxymethyl)-4-morpholinyl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 4-methyl-3-[[2-(quinazolin-4-yloxymethyl)morpholine-4-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H22N4O4S2 MolecularWeight: 458.55378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1NC(=S)N2CCOC(C2)COC3=NC=NC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1NC(=S)N2CCOC(C2)COC3=NC=NC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C21H22N4O4S2/c1-13-11-31-18(20(26)27-2)17(13)24-21(30)25-7-8-28-14(9-25)10-29-19-15-5-3-4-6-16(15)22-12-23-19/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,30)