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

Systemtic Name: N-[4-(2-hydroxyphenyl)piperazin-1-yl]carbothioyl-3,4-dimethoxy-benzamide Openeye Name: N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-(2-hydroxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-(2-hydroxyphenyl)piperazine-1-carbothioyl]-3,4-dimethoxy-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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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=C3O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3O)OC

InChI

InChI=1S/C20H23N3O4S/c1-26-17-8-7-14(13-18(17)27-2)19(25)21-20(28)23-11-9-22(10-12-23)15-5-3-4-6-16(15)24/h3-8,13,24H,9-12H2,1-2H3,(H,21,25,28)