N-[[1-(N-cyano-N'-methyl-carbamimidoyl)-4-thiophen-2-yl-piperidin-4-yl]methyl]-2-methoxy-benzamide

Systemtic Name: N-[[1-(N-cyano-N'-methyl-carbamimidoyl)-4-thiophen-2-yl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-(N-cyano-N'-methyl-carbamimidoyl)-4-(2-thienyl)-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(cyanoamino)-methyliminomethyl]-4-thiophen-2-yl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-(N-cyano-N'-methylcarbamimidoyl)-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-(N-cyano-N'-methyl-amidino)-4-(2-thienyl)-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)N1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CS3

Isomeric SMILES

CN=C(NC#N)N1CCC(CC1)(CNC(=O)C2=CC=CC=C2OC)C3=CC=CS3

InChI

InChI=1S/C21H25N5O2S/c1-23-20(25-15-22)26-11-9-21(10-12-26,18-8-5-13-29-18)14-24-19(27)16-6-3-4-7-17(16)28-2/h3-8,13H,9-12,14H2,1-2H3,(H,23,25)(H,24,27)