N,4-bis(2,5-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: N,4-bis(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N,4-bis(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N,4-bis(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N,4-bis(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: N,4-bis(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C21H27N3S MolecularWeight: 353.52418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H27N3S/c1-15-5-7-17(3)19(13-15)22-21(25)24-11-9-23(10-12-24)20-14-16(2)6-8-18(20)4/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)