dipropan-2-yl 5-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C25H30N2O6S2 MolecularWeight: 518.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C(=O)OC(C)C

InChI

InChI=1S/C25H30N2O6S2/c1-13(2)32-22(28)15-10-16(23(29)33-14(3)4)12-17(11-15)26-25(34)27-21-20(24(30)31-5)18-8-6-7-9-19(18)35-21/h10-14H,6-9H2,1-5H3,(H2,26,27,34)