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

Systemtic Name: methyl 5-(phenylmethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(tetralin-1-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[sulfanylidene-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(tetralin-1-ylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C24H24N2O2S2 MolecularWeight: 436.58956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCC4=CC=CC=C34

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCC4=CC=CC=C34

InChI

InChI=1S/C24H24N2O2S2/c1-28-23(27)20-15-18(14-16-8-3-2-4-9-16)30-22(20)26-24(29)25-21-13-7-11-17-10-5-6-12-19(17)21/h2-6,8-10,12,15,21H,7,11,13-14H2,1H3,(H2,25,26,29)