methyl 2-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-bromanyl-3-methyl-pyrazol-1-yl)propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-bromo-3-methyl-pyrazol-1-yl)propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-bromo-3-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-bromo-3-methylpyrazol-1-yl)propylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[3-(4-bromo-3-methyl-pyrazol-1-yl)propylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H21BrN4O2S2 MolecularWeight: 445.39754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCCN2C=C(C(=N2)C)Br)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCCN2C=C(C(=N2)C)Br)C(=O)OC

InChI

InChI=1S/C16H21BrN4O2S2/c1-4-11-8-12(15(22)23-3)14(25-11)19-16(24)18-6-5-7-21-9-13(17)10(2)20-21/h8-9H,4-7H2,1-3H3,(H2,18,19,24)