N-(2-methoxy-5-methyl-phenyl)-4-phenethyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-phenethyl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-phenethyl-piperazine-1-carbothioamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-phenethyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-phenethylpiperazine-1-carbothioamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-phenethyl-piperazine-1-carbothioamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-17-8-9-20(25-2)19(16-17)22-21(26)24-14-12-23(13-15-24)11-10-18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3,(H,22,26)