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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-formyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-formylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-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=C(C=C1)NC(=S)N2CCN(CC2)C=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C=O)Cl

InChI

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