3-azanyl-2-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propylsulfanyl]-7-nitro-quinazolin-4-one

Systemtic Name: 3-azanyl-2-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propylsulfanyl]-7-nitro-quinazolin-4-one Openeye Name: 3-amino-2-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propylsulfanyl]-7-nitro-quinazolin-4-one CAS Name: 3-amino-2-[3-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]propylthio]-7-nitro-4-quinazolinone IUPAC Name: 3-amino-2-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propylsulfanyl]-7-nitroquinazolin-4-one Traditional Name: 3-amino-2-[3-[4-(1,3-benzothiazol-2-yl)piperazino]propylthio]-7-nitro-quinazolin-4-one Formula: C22H23N7O3S2 MolecularWeight: 497.59312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CCCSC2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H23N7O3S2/c23-28-20(30)16-7-6-15(29(31)32)14-18(16)25-22(28)33-13-3-8-26-9-11-27(12-10-26)21-24-17-4-1-2-5-19(17)34-21/h1-2,4-7,14H,3,8-13,23H2