6-tert-butyl-2-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-2-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[(3,4,5-triethoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-[(3,4,5-triethoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H37N3O5S2 MolecularWeight: 547.72978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N

InChI

InChI=1S/C27H37N3O5S2/c1-7-33-18-12-15(13-19(34-8-2)22(18)35-9-3)24(32)29-26(36)30-25-21(23(28)31)17-11-10-16(27(4,5)6)14-20(17)37-25/h12-13,16H,7-11,14H2,1-6H3,(H2,28,31)(H2,29,30,32,36)