ethyl 5-methyl-2-(naphthalen-1-ylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-(naphthalen-1-ylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-(1-naphthylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(naphthalen-1-ylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(1-naphthylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H22N2O2S2 MolecularWeight: 446.58438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H22N2O2S2/c1-3-29-24(28)22-21(18-11-5-4-6-12-18)16(2)31-23(22)27-25(30)26-20-15-9-13-17-10-7-8-14-19(17)20/h4-15H,3H2,1-2H3,(H2,26,27,30)