methyl 2-[(2-bromophenyl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-bromophenyl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-bromophenyl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-bromophenyl)methylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromophenyl)methylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(2-bromobenzyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H15BrN2O2S2 MolecularWeight: 399.3258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCC2=CC=CC=C2Br)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCC2=CC=CC=C2Br)C(=O)OC

InChI

InChI=1S/C15H15BrN2O2S2/c1-9-7-11(14(19)20-2)13(22-9)18-15(21)17-8-10-5-3-4-6-12(10)16/h3-7H,8H2,1-2H3,(H2,17,18,21)