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

Systemtic Name: dipropan-2-yl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(3-ethoxycarbonyl-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-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C26H32N2O6S2 MolecularWeight: 532.67208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC(C)C)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC(C)C)C(=O)OC(C)C

InChI

InChI=1S/C26H32N2O6S2/c1-6-32-25(31)21-19-9-7-8-10-20(19)36-22(21)28-26(35)27-18-12-16(23(29)33-14(2)3)11-17(13-18)24(30)34-15(4)5/h11-15H,6-10H2,1-5H3,(H2,27,28,35)