methyl 2-[[2-[(2-bromophenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-[(2-bromophenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-[(2-bromophenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[[2-[(2-bromobenzyl)thio]acetyl]amino]thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H27BrN4O4S3 MolecularWeight: 587.57318

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)CSCC2=CC=CC=C2Br)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)CSCC2=CC=CC=C2Br)C(=O)OC)C

InChI

InChI=1S/C22H27BrN4O4S3/c1-5-27(6-2)20(29)18-13(3)17(21(30)31-4)19(34-18)24-22(32)26-25-16(28)12-33-11-14-9-7-8-10-15(14)23/h7-10H,5-6,11-12H2,1-4H3,(H,25,28)(H2,24,26,32)