4-(5-chloranyl-2-methyl-phenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-14-5-6-15(22)11-17(14)24-7-9-25(10-8-24)21(29)23-16-12-18(26-2)20(28-4)19(13-16)27-3/h5-6,11-13H,7-10H2,1-4H3,(H,23,29)