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

Systemtic Name: N-(2-methoxy-5-phenyl-phenyl)-4-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-5-phenyl-phenyl)-4-(o-tolyl)piperazine-1-carbothioamide CAS Name: N-(2-methoxy-5-phenylphenyl)-4-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-5-phenylphenyl)-4-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-methoxy-5-phenyl-phenyl)-4-(o-tolyl)piperazine-1-carbothioamide Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H27N3OS/c1-19-8-6-7-11-23(19)27-14-16-28(17-15-27)25(30)26-22-18-21(12-13-24(22)29-2)20-9-4-3-5-10-20/h3-13,18H,14-17H2,1-2H3,(H,26,30)