4-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C18H23N3OS MolecularWeight: 329.45972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCC3=CC=CO3)C

InChI

InChI=1S/C18H23N3OS/c1-14-5-3-7-17(15(14)2)20-8-10-21(11-9-20)18(23)19-13-16-6-4-12-22-16/h3-7,12H,8-11,13H2,1-2H3,(H,19,23)