N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(2-cyanophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-cyanophenyl)piperazine-1-carbothioamide Formula: C18H16ClFN4S MolecularWeight: 374.862843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H16ClFN4S/c19-15-11-14(5-6-16(15)20)22-18(25)24-9-7-23(8-10-24)17-4-2-1-3-13(17)12-21/h1-6,11H,7-10H2,(H,22,25)