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

Systemtic Name: N-[[1-(N-cyano-N'-phenyl-carbamimidoyl)-4-thiophen-2-yl-piperidin-4-yl]methyl]-2-methoxy-benzamide Openeye Name: N-[[1-(N-cyano-N'-phenyl-carbamimidoyl)-4-(2-thienyl)-4-piperidyl]methyl]-2-methoxy-benzamide CAS Name: N-[[1-[(cyanoamino)-phenyliminomethyl]-4-thiophen-2-yl-4-piperidinyl]methyl]-2-methoxybenzamide IUPAC Name: N-[[1-(N-cyano-N'-phenylcarbamimidoyl)-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-methoxybenzamide Traditional Name: N-[[1-(N-cyano-N'-phenyl-amidino)-4-(2-thienyl)-4-piperidyl]methyl]-2-methoxy-benzamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NC3=CC=CC=C3)NC#N)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCC2(CCN(CC2)C(=NC3=CC=CC=C3)NC#N)C4=CC=CS4

InChI

InChI=1S/C26H27N5O2S/c1-33-22-11-6-5-10-21(22)24(32)28-18-26(23-12-7-17-34-23)13-15-31(16-14-26)25(29-19-27)30-20-8-3-2-4-9-20/h2-12,17H,13-16,18H2,1H3,(H,28,32)(H,29,30)