4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-N-[2-(pyrrolidinomethyl)benzyl]benzamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCCC4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCCC4

InChI

InChI=1S/C25H29N5O2S/c1-29-15-12-26-25(29)33-18-23(31)28-22-10-8-19(9-11-22)24(32)27-16-20-6-2-3-7-21(20)17-30-13-4-5-14-30/h2-3,6-12,15H,4-5,13-14,16-18H2,1H3,(H,27,32)(H,28,31)