N-(3-chloranyl-2-methyl-phenyl)-4-methanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-formyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-formylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-formyl-piperazine-1-carbothioamide Formula: C13H16ClN3OS MolecularWeight: 297.80364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C=O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C=O

InChI

InChI=1S/C13H16ClN3OS/c1-10-11(14)3-2-4-12(10)15-13(19)17-7-5-16(9-18)6-8-17/h2-4,9H,5-8H2,1H3,(H,15,19)