methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(4-propan-2-ylphenyl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(4-propan-2-ylphenyl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[[(4-isopropylbenzoyl)amino]carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[[oxo-(4-propan-2-ylphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(4-propan-2-ylbenzoyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(cumoylamino)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)C)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)C)C(=O)N(C)C

InChI

InChI=1S/C21H26N4O4S2/c1-11(2)13-7-9-14(10-8-13)17(26)23-24-21(30)22-18-15(20(28)29-6)12(3)16(31-18)19(27)25(4)5/h7-11H,1-6H3,(H,23,26)(H2,22,24,30)