methyl 5-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(tetralin-1-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(tetralin-1-ylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3CCCC4=CC=CC=C34

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3CCCC4=CC=CC=C34

InChI

InChI=1S/C23H22N2O2S2/c1-27-22(26)18-14-20(16-9-3-2-4-10-16)29-21(18)25-23(28)24-19-13-7-11-15-8-5-6-12-17(15)19/h2-6,8-10,12,14,19H,7,11,13H2,1H3,(H2,24,25,28)