N-[6-[4-(1-methoxypropan-2-ylcarbamothioyl)piperazin-1-yl]pyridin-3-yl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[6-[4-(1-methoxypropan-2-ylcarbamothioyl)piperazin-1-yl]pyridin-3-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[6-[4-[(2-methoxy-1-methyl-ethyl)carbamothioyl]piperazin-1-yl]-3-pyridyl]-2-(2-thienyl)acetamide CAS Name: N-[6-[4-[(1-methoxypropan-2-ylamino)-sulfanylidenemethyl]-1-piperazinyl]-3-pyridinyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[6-[4-(1-methoxypropan-2-ylcarbamothioyl)piperazin-1-yl]pyridin-3-yl]-2-thiophen-2-ylacetamide Traditional Name: N-[6-[4-[(2-methoxy-1-methyl-ethyl)thiocarbamoyl]piperazino]-3-pyridyl]-2-(2-thienyl)acetamide Formula: C20H27N5O2S2 MolecularWeight: 433.59068

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)CC3=CC=CS3

Isomeric SMILES

CC(COC)NC(=S)N1CCN(CC1)C2=NC=C(C=C2)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C20H27N5O2S2/c1-15(14-27-2)22-20(28)25-9-7-24(8-10-25)18-6-5-16(13-21-18)23-19(26)12-17-4-3-11-29-17/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H,22,28)(H,23,26)