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

Systemtic Name: N-[[1-(N-cyano-N'-propyl-carbamimidoyl)-4-thiophen-2-yl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-(N-cyano-N'-propyl-carbamimidoyl)-4-(2-thienyl)-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(cyanoamino)-propyliminomethyl]-4-thiophen-2-yl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-(N-cyano-N'-propylcarbamimidoyl)-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-(N-cyano-N'-propyl-amidino)-4-(2-thienyl)-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O2S/c1-3-12-25-22(27-17-24)28-13-10-23(11-14-28,20-9-6-15-31-20)16-26-21(29)18-7-4-5-8-19(18)30-2/h4-9,15H,3,10-14,16H2,1-2H3,(H,25,27)(H,26,29)