S-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino] 4-(4-fluorophenyl)piperazine-1-carbothioate

Systemtic Name: S-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino] 4-(4-fluorophenyl)piperazine-1-carbothioate Openeye Name: S-[[4-(4-nitrophenyl)thiazol-2-yl]amino] 4-(4-fluorophenyl)piperazine-1-carbothioate CAS Name: 4-(4-fluorophenyl)-1-piperazinecarbothioic acid S-[[4-(4-nitrophenyl)-2-thiazolyl]amino] ester IUPAC Name: S-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino] 4-(4-fluorophenyl)piperazine-1-carbothioate Traditional Name: 4-(4-fluorophenyl)piperazine-1-carbothioic acid S-[[4-(4-nitrophenyl)thiazol-2-yl]amino] ester Formula: C20H18FN5O3S2 MolecularWeight: 459.517023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)SNC3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)SNC3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18FN5O3S2/c21-15-3-7-16(8-4-15)24-9-11-25(12-10-24)20(27)31-23-19-22-18(13-30-19)14-1-5-17(6-2-14)26(28)29/h1-8,13H,9-12H2,(H,22,23)