4-(1,2-benzothiazol-3-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,2-benzothiazol-3-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,2-benzothiazol-3-yl)-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(1,2-benzothiazol-3-yl)-N-(3-chloro-4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,2-benzothiazol-3-yl)-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(1,2-benzothiazol-3-yl)-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide Formula: C18H16ClFN4S2 MolecularWeight: 406.927843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=S)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C18H16ClFN4S2/c19-14-11-12(5-6-15(14)20)21-18(25)24-9-7-23(8-10-24)17-13-3-1-2-4-16(13)26-22-17/h1-6,11H,7-10H2,(H,21,25)