N-[4-(azepan-1-yl)phenyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]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)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H29N5O2S/c1-29-17-14-26-25(29)33-18-23(31)27-20-8-6-19(7-9-20)24(32)28-21-10-12-22(13-11-21)30-15-4-2-3-5-16-30/h6-14,17H,2-5,15-16,18H2,1H3,(H,27,31)(H,28,32)