N-(2-azanylethyl)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonylamino]-5-methylsulfanyl-benzamide

Systemtic Name: N-(2-azanylethyl)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonylamino]-5-methylsulfanyl-benzamide Openeye Name: N-(2-aminoethyl)-2-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]amino]-5-methylsulfanyl-benzamide CAS Name: N-(2-aminoethyl)-2-[[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxomethyl]amino]-5-(methylthio)benzamide IUPAC Name: N-(2-aminoethyl)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-5-methylsulfanylbenzamide Traditional Name: N-(2-aminoethyl)-2-[[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]amino]-5-(methylthio)benzamide Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(=O)NC2=C(C=C(C=C2)SC)C(=O)NCCN)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC2=C(C=C(C=C2)SC)C(=O)NCCN)C(C)C

InChI

InChI=1S/C21H33N3O2S/c1-13(2)16-7-5-14(3)11-17(16)21(26)24-19-8-6-15(27-4)12-18(19)20(25)23-10-9-22/h6,8,12-14,16-17H,5,7,9-11,22H2,1-4H3,(H,23,25)(H,24,26)/t14-,16+,17-/m1/s1