N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[2-(2-thienyl)ethyl]piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-thiophen-2-ylethyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[2-(2-thienyl)ethyl]piperazine-1-carbothioamide Formula: C19H24ClN3O2S2 MolecularWeight: 425.99576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)CCC3=CC=CS3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)CCC3=CC=CS3)OC)Cl

InChI

InChI=1S/C19H24ClN3O2S2/c1-24-17-13-16(18(25-2)12-15(17)20)21-19(26)23-9-7-22(8-10-23)6-5-14-4-3-11-27-14/h3-4,11-13H,5-10H2,1-2H3,(H,21,26)