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

Systemtic Name: dipropan-2-yl 5-(naphthalen-1-ylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-(1-naphthylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-(naphthalen-1-ylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(1-naphthylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC3=CC=CC=C32)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC3=CC=CC=C32)C(=O)OC(C)C

InChI

InChI=1S/C25H26N2O4S/c1-15(2)30-23(28)18-12-19(24(29)31-16(3)4)14-20(13-18)26-25(32)27-22-11-7-9-17-8-5-6-10-21(17)22/h5-16H,1-4H3,(H2,26,27,32)