4-(2,6-dimethylphenyl)-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,6-dimethylphenyl)-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,6-dimethylphenyl)-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2,6-dimethylphenyl)-N-(2-methoxy-5-phenylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,6-dimethylphenyl)-N-(2-methoxy-5-phenylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,6-dimethylphenyl)-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H29N3OS/c1-19-8-7-9-20(2)25(19)28-14-16-29(17-15-28)26(31)27-23-18-22(12-13-24(23)30-3)21-10-5-4-6-11-21/h4-13,18H,14-17H2,1-3H3,(H,27,31)