dipropan-2-yl 5-(cyclohexylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-(cyclohexylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-(cyclohexylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(cyclohexylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-(cyclohexylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(cyclohexylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2CCCCC2)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2CCCCC2)C(=O)OC(C)C

InChI

InChI=1S/C21H30N2O4S/c1-13(2)26-19(24)15-10-16(20(25)27-14(3)4)12-18(11-15)23-21(28)22-17-8-6-5-7-9-17/h10-14,17H,5-9H2,1-4H3,(H2,22,23,28)