3,4-dimethoxy-N-[4-(2-methoxyphenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3,4-dimethoxy-N-[4-(2-methoxyphenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,4-dimethoxy-N-[4-(2-methoxyphenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3,4-dimethoxy-N-[[4-(2-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[4-(2-methoxyphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,4-dimethoxy-N-[4-(2-methoxyphenyl)piperazine-1-carbothioyl]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3OC)OC

InChI

InChI=1S/C21H25N3O4S/c1-26-17-7-5-4-6-16(17)23-10-12-24(13-11-23)21(29)22-20(25)15-8-9-18(27-2)19(14-15)28-3/h4-9,14H,10-13H2,1-3H3,(H,22,25,29)