N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H22N4O2S MolecularWeight: 418.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=C(SC4=C3CCCC4)N5C=CC=C5

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=C(SC4=C3CCCC4)N5C=CC=C5

InChI

InChI=1S/C23H22N4O2S/c1-26(14-19-24-17-10-4-2-8-15(17)21(28)25-19)22(29)20-16-9-3-5-11-18(16)30-23(20)27-12-6-7-13-27/h2,4,6-8,10,12-13H,3,5,9,11,14H2,1H3,(H,24,25,28)