3,4,5-trimethoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 3,4,5-trimethoxy-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3,4,5-trimethoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 3,4,5-trimethoxy-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 3,4,5-trimethoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

InChI

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