ethyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-tert-butyl-2-methoxyanilino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-tert-butyl-2-methoxyphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-tert-butyl-2-methoxy-phenyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H30N2O3S2 MolecularWeight: 446.6259

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=C(C=CC(=C3)C(C)(C)C)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=C(C=CC(=C3)C(C)(C)C)OC

InChI

InChI=1S/C23H30N2O3S2/c1-6-28-21(26)19-15-9-7-8-10-18(15)30-20(19)25-22(29)24-16-13-14(23(2,3)4)11-12-17(16)27-5/h11-13H,6-10H2,1-5H3,(H2,24,25,29)