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

Systemtic Name: ethyl 2-[(3-ethylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-ethylphenyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-ethylanilino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-ethylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-ethylphenyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C20H24N2O2S2/c1-3-13-8-7-9-14(12-13)21-20(25)22-18-17(19(23)24-4-2)15-10-5-6-11-16(15)26-18/h7-9,12H,3-6,10-11H2,1-2H3,(H2,21,22,25)