1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-1-one CAS Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(phenylthio)-1-propanone IUPAC Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one Traditional Name: 1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]-3-(phenylthio)propan-1-one Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3S2/c25-19(8-13-28-16-4-2-1-3-5-16)22-9-11-23(12-10-22)20-21-17-7-6-15(24(26)27)14-18(17)29-20/h1-7,14H,8-13H2