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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(4-ethoxyphenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(4-ethoxybenzoyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[(4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(4-ethoxybenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(4-ethoxybenzoyl)thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C23H24ClN3O3S2 MolecularWeight: 490.03796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C

InChI

InChI=1S/C23H24ClN3O3S2/c1-5-30-14-11-9-13(10-12-14)20(28)26-22(31)25-16-8-6-7-15-17(24)19(32-18(15)16)21(29)27-23(2,3)4/h6-12H,5H2,1-4H3,(H,27,29)(H2,25,26,28,31)