methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methyl-6-propan-2-yl-phenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methyl-6-propan-2-yl-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[(2-isopropyl-6-methyl-phenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(2-methyl-6-propan-2-ylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[(2-isopropyl-6-methyl-phenyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C21H27N3O3S2/c1-11(2)14-10-8-9-12(3)16(14)22-21(28)23-18-15(20(26)27-7)13(4)17(29-18)19(25)24(5)6/h8-11H,1-7H3,(H2,22,23,28)