methyl 4-[(3-aminocarbonyl-4-ethyl-5-methyl-thiophen-2-yl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(3-aminocarbonyl-4-ethyl-5-methyl-thiophen-2-yl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(3-carbamoyl-4-ethyl-5-methyl-2-thienyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[(3-carbamoyl-4-ethyl-5-methyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(3-carbamoyl-4-ethyl-5-methyl-2-thienyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C18H19N3O4S2/c1-4-12-9(2)27-16(13(12)14(19)22)21-18(26)20-15(23)10-5-7-11(8-6-10)17(24)25-3/h5-8H,4H2,1-3H3,(H2,19,22)(H2,20,21,23,26)