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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)-N-isopropyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 3-(3,5-dimethylphenyl)-N-isopropyl-4-keto-2-[(4-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26N4O4S/c1-16(2)28-25(32)20-7-10-23-24(14-20)29-27(36-15-19-5-8-21(9-6-19)31(34)35)30(26(23)33)22-12-17(3)11-18(4)13-22/h5-14,16H,15H2,1-4H3,(H,28,32)