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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(3,4,5-triethoxybenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C27H32ClN3O5S2 MolecularWeight: 578.14308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C

InChI

InChI=1S/C27H32ClN3O5S2/c1-7-34-18-13-15(14-19(35-8-2)21(18)36-9-3)24(32)30-26(37)29-17-12-10-11-16-20(28)23(38-22(16)17)25(33)31-27(4,5)6/h10-14H,7-9H2,1-6H3,(H,31,33)(H2,29,30,32,37)