N-(4-ethoxyphenyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(2-methoxy-5-methyl-benzyl)-N-p-phenetyl-piperazine-1-carbothioamide Formula: C22H29N3O2S MolecularWeight: 399.54956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C22H29N3O2S/c1-4-27-20-8-6-19(7-9-20)23-22(28)25-13-11-24(12-14-25)16-18-15-17(2)5-10-21(18)26-3/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,28)