N-(5-chloranyl-2-methoxy-phenyl)-4-methanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-formyl-piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-formylpiperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-formyl-piperazine-1-carbothioamide Formula: C13H16ClN3O2S MolecularWeight: 313.80304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C=O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C=O

InChI

InChI=1S/C13H16ClN3O2S/c1-19-12-3-2-10(14)8-11(12)15-13(20)17-6-4-16(9-18)5-7-17/h2-3,8-9H,4-7H2,1H3,(H,15,20)