3-(1H-indol-3-yl)-N-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanamide

Systemtic Name: 3-(1H-indol-3-yl)-N-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanamide Openeye Name: 3-(1H-indol-3-yl)-N-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanamide CAS Name: 3-(1H-indol-3-yl)-N-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]propanamide IUPAC Name: 3-(1H-indol-3-yl)-N-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanamide Traditional Name: 3-(1H-indol-3-yl)-N-[4-keto-2-[(3-nitrobenzyl)thio]quinazolin-3-yl]propionamide Formula: C26H21N5O4S MolecularWeight: 499.54104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NN3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H21N5O4S/c32-24(13-12-18-15-27-22-10-3-1-8-20(18)22)29-30-25(33)21-9-2-4-11-23(21)28-26(30)36-16-17-6-5-7-19(14-17)31(34)35/h1-11,14-15,27H,12-13,16H2,(H,29,32)