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

Systemtic Name: 3,4-dimethoxy-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3,4-dimethoxy-benzamide CAS Name: 3,4-dimethoxy-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3,4-dimethoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3,4-dimethoxy-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H25N3O3S/c1-26-18-9-8-17(14-19(18)27-2)20(25)22-21(28)24-12-10-23(11-13-24)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,25,28)