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

Systemtic Name: methyl 2-[(2-bromophenyl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-bromophenyl)methylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-bromophenyl)methylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromophenyl)methylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(2-bromobenzyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H17BrN2O2S2 MolecularWeight: 413.35238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=CC=CC=C2Br)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=CC=CC=C2Br)C(=O)OC

InChI

InChI=1S/C16H17BrN2O2S2/c1-3-11-8-12(15(20)21-2)14(23-11)19-16(22)18-9-10-6-4-5-7-13(10)17/h4-8H,3,9H2,1-2H3,(H2,18,19,22)