(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-(phenylcarbamoylamino)thiophene-2-carboxylate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-(phenylcarbamoylamino)thiophene-2-carboxylate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 5-(phenylcarbamoylamino)thiophene-2-carboxylate CAS Name: 5-[[anilino(oxo)methyl]amino]-2-thiophenecarboxylic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 5-(phenylcarbamoylamino)thiophene-2-carboxylate Traditional Name: 5-(phenylcarbamoylamino)thiophene-2-carboxylic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC=C(S3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC=C(S3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O4S/c1-13-6-5-9-15-19(13)24-17(25-20(15)27)12-30-21(28)16-10-11-18(31-16)26-22(29)23-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,23,26,29)(H,24,25,27)