methyl 4-cyano-5-[[5-(3,4-dimethylphenyl)furan-2-yl]carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-5-[[5-(3,4-dimethylphenyl)furan-2-yl]carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[[5-(3,4-dimethylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[5-(3,4-dimethylphenyl)-2-furoyl]thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C(=C(S3)C(=O)OC)C)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C(=C(S3)C(=O)OC)C)C#N)C

InChI

InChI=1S/C22H19N3O4S2/c1-11-5-6-14(9-12(11)2)16-7-8-17(29-16)19(26)24-22(30)25-20-15(10-23)13(3)18(31-20)21(27)28-4/h5-9H,1-4H3,(H2,24,25,26,30)