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

Systemtic Name: dipropan-2-yl 5-[(3-chloranyl-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(3-chloro-2-methoxycarbonyl-benzothiophen-6-yl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(3-chloro-2-methoxycarbonyl-1-benzothiophen-6-yl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(3-chloro-2-methoxycarbonyl-1-benzothiophen-6-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-carbomethoxy-3-chloro-benzothiophen-6-yl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C25H25ClN2O6S2 MolecularWeight: 549.0588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C(=O)OC(C)C

InChI

InChI=1S/C25H25ClN2O6S2/c1-12(2)33-22(29)14-8-15(23(30)34-13(3)4)10-17(9-14)28-25(35)27-16-6-7-18-19(11-16)36-21(20(18)26)24(31)32-5/h6-13H,1-5H3,(H2,27,28,35)