N-(2,5-dimethylphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazine-1-carbothioamide Formula: C23H26N4OS2 MolecularWeight: 438.60874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H26N4OS2/c1-16-7-8-17(2)20(13-16)24-22(29)26-9-11-27(12-10-26)23-25-21(15-30-23)18-5-4-6-19(14-18)28-3/h4-8,13-15H,9-12H2,1-3H3,(H,24,29)