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

Systemtic Name: 4-(2,5-dimethylphenyl)-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)-N-(2-methoxy-5-phenylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)-N-(2-methoxy-5-phenylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-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=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)C4=CC=CC=C4)OC

Isomeric SMILES

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

InChI

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