N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-cyclohexane-1-carboxamide

Systemtic Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-cyclohexane-1-carboxamide Openeye Name: N-[(1R)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-methylsulfanyl-propyl]-4-methyl-cyclohexanecarboxamide CAS Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-4-(methylthio)-1-oxobutan-2-yl]-4-methyl-1-cyclohexanecarboxamide IUPAC Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide Traditional Name: N-[(1R)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-(methylthio)propyl]-4-methyl-cyclohexanecarboxamide Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC(CCSC)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1CCC(CC1)C(=O)N[C@H](CCSC)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H28N2O4S/c1-13-3-5-14(6-4-13)19(23)22-16(9-10-27-2)20(24)21-15-7-8-17-18(11-15)26-12-25-17/h7-8,11,13-14,16H,3-6,9-10,12H2,1-2H3,(H,21,24)(H,22,23)/t13?,14?,16-/m1/s1