methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(tetralin-1-ylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[sulfanylidene-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(tetralin-1-ylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3CCCC4=CC=CC=C34

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3CCCC4=CC=CC=C34

InChI

InChI=1S/C21H24N2O2S2/c1-25-20(24)18-15-10-4-5-12-17(15)27-19(18)23-21(26)22-16-11-6-8-13-7-2-3-9-14(13)16/h2-3,7,9,16H,4-6,8,10-12H2,1H3,(H2,22,23,26)