N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C20H21N5O6S2 MolecularWeight: 491.54064

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O6S2/c1-33(30,31)13-6-7-16(17(12-13)25(28)29)21-9-10-22-18(26)8-11-24-19(27)14-4-2-3-5-15(14)23-20(24)32/h2-7,12,21H,8-11H2,1H3,(H,22,26)(H,23,32)