4-(4-fluorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-fluorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide Openeye Name: 4-(4-fluorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide CAS Name: 4-(4-fluorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-fluorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide Formula: C18H16FN5O2S2 MolecularWeight: 417.480343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN5O2S2/c19-12-1-3-13(4-2-12)22-7-9-23(10-8-22)18(27)21-17-20-15-6-5-14(24(25)26)11-16(15)28-17/h1-6,11H,7-10H2,(H,20,21,27)