4-[(3,4-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 3-(2-hydroxyethyl)-N-phenyl-4-veratryl-piperazine-1-carbothioamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2CCO)C(=S)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2CCO)C(=S)NC3=CC=CC=C3)OC

InChI

InChI=1S/C22H29N3O3S/c1-27-20-9-8-17(14-21(20)28-2)15-24-11-12-25(16-19(24)10-13-26)22(29)23-18-6-4-3-5-7-18/h3-9,14,19,26H,10-13,15-16H2,1-2H3,(H,23,29)