3,4-dimethoxy-N-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioyl]benzamide Openeye Name: 3,4-dimethoxy-N-[[2-(3-pyridyl)-1-piperidyl]carbamothioyl]benzamide CAS Name: 3,4-dimethoxy-N-[[[2-(3-pyridinyl)-1-piperidinyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[(2-pyridin-3-ylpiperidin-1-yl)carbamothioyl]benzamide Traditional Name: 3,4-dimethoxy-N-[[2-(3-pyridyl)piperidino]thiocarbamoyl]benzamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NN2CCCCC2C3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NN2CCCCC2C3=CN=CC=C3)OC

InChI

InChI=1S/C20H24N4O3S/c1-26-17-9-8-14(12-18(17)27-2)19(25)22-20(28)23-24-11-4-3-7-16(24)15-6-5-10-21-13-15/h5-6,8-10,12-13,16H,3-4,7,11H2,1-2H3,(H2,22,23,25,28)