methyl 2-[(2,4,6-trimethylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(2,4,6-trimethylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2,4,6-trimethylphenyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2,4,6-trimethylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(mesitylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

InChI

InChI=1S/C20H24N2O2S2/c1-11-9-12(2)17(13(3)10-11)21-20(25)22-18-16(19(23)24-4)14-7-5-6-8-15(14)26-18/h9-10H,5-8H2,1-4H3,(H2,21,22,25)