3-[4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H23N5O4S MolecularWeight: 501.55692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C26H23N5O4S/c32-24(29-15-13-28(14-16-29)19-9-11-21(12-10-19)31(34)35)17-18-5-7-20(8-6-18)30-25(33)22-3-1-2-4-23(22)27-26(30)36/h1-12H,13-17H2,(H,27,36)