4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[4-keto-2-[(3-nitrobenzyl)thio]quinazolin-3-yl]-N-phenethyl-butyramide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O4S/c32-25(28-16-15-20-8-2-1-3-9-20)14-7-17-30-26(33)23-12-4-5-13-24(23)29-27(30)36-19-21-10-6-11-22(18-21)31(34)35/h1-6,8-13,18H,7,14-17,19H2,(H,28,32)