7-chloranyl-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-[4-(2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[[2-keto-2-[4-(2-nitrophenyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C23H22ClN5O4S MolecularWeight: 499.96988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H22ClN5O4S/c1-2-9-28-22(31)17-8-7-16(24)14-18(17)25-23(28)34-15-21(30)27-12-10-26(11-13-27)19-5-3-4-6-20(19)29(32)33/h2-8,14H,1,9-13,15H2