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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-o-phenetyl-piperazine-1-carbothioamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC

InChI

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