ethyl 2-[(3-butan-2-yloxyphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-butan-2-yloxyphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-sec-butoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(3-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-sec-butoxybenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H28N2O4S2 MolecularWeight: 460.60942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C23H28N2O4S2/c1-4-14(3)29-16-10-8-9-15(13-16)20(26)24-23(30)25-21-19(22(27)28-5-2)17-11-6-7-12-18(17)31-21/h8-10,13-14H,4-7,11-12H2,1-3H3,(H2,24,25,26,30)