methyl 2-[(4-iodophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-iodophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-iodophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-iodoanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-iodophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-iodophenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H13IN2O2S2 MolecularWeight: 432.29969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13IN2O2S2/c1-8-7-11(13(18)19-2)12(21-8)17-14(20)16-10-5-3-9(15)4-6-10/h3-7H,1-2H3,(H2,16,17,20)