[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-[4-(2-nitrophenyl)piperazino]methanone Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22N4O3S2/c30-24(28-15-13-27(14-16-28)21-6-2-3-7-22(21)29(31)32)19-11-9-18(10-12-19)17-33-25-26-20-5-1-4-8-23(20)34-25/h1-12H,13-17H2