methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-methoxy-3-dibenzofuranyl)amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2-methoxydibenzofuran-3-yl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC)C(=O)OC

InChI

InChI=1S/C21H18N2O4S2/c1-11-8-14(20(24)26-3)19(29-11)23-21(28)22-15-10-17-13(9-18(15)25-2)12-6-4-5-7-16(12)27-17/h4-10H,1-3H3,(H2,22,23,28)