3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-4-keto-N-(2-methoxyethyl)-2-[(4-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C27H26N4O5S MolecularWeight: 518.58414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCOC)N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCOC)N=C2SCC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C27H26N4O5S/c1-17-12-18(2)14-22(13-17)30-26(33)23-9-6-20(25(32)28-10-11-36-3)15-24(23)29-27(30)37-16-19-4-7-21(8-5-19)31(34)35/h4-9,12-15H,10-11,16H2,1-3H3,(H,28,32)