N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-cyclohexane-1-carboxamide

Systemtic Name: N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-cyclohexane-1-carboxamide Openeye Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-methylsulfanyl-propyl]-4-methyl-cyclohexanecarboxamide CAS Name: N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-(methylthio)-1-oxobutan-2-yl]-4-methyl-1-cyclohexanecarboxamide IUPAC Name: N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide Traditional Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-(methylthio)propyl]-4-methyl-cyclohexanecarboxamide Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC(CCSC)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1CCC(CC1)C(=O)N[C@H](CCSC)C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H30N2O4S/c1-14-3-5-15(6-4-14)20(24)23-17(9-12-28-2)21(25)22-16-7-8-18-19(13-16)27-11-10-26-18/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,22,25)(H,23,24)/t14?,15?,17-/m1/s1