N-(1-adamantylmethyl)-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-(1-adamantylmethyl)-3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-(1-adamantylmethyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-(1-adamantylmethyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(1-adamantylmethyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-(1-adamantylmethyl)-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N5O2S/c1-28-14-25-27-22(28)31-12-20(29)26-19-4-2-3-18(8-19)21(30)24-13-23-9-15-5-16(10-23)7-17(6-15)11-23/h2-4,8,14-17H,5-7,9-13H2,1H3,(H,24,30)(H,26,29)