methyl 5-methyl-4-phenyl-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-(2-thienylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[sulfanylidene-(thiophen-2-ylmethylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(2-thenylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H18N2O2S3 MolecularWeight: 402.55342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NCC2=CC=CS2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCC2=CC=CS2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O2S3/c1-12-15(13-7-4-3-5-8-13)16(18(22)23-2)17(26-12)21-19(24)20-11-14-9-6-10-25-14/h3-10H,11H2,1-2H3,(H2,20,21,24)