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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(3-isobutoxybenzoyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(3-isobutoxybenzoyl)thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C25H28ClN3O3S2 MolecularWeight: 518.09112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H28ClN3O3S2/c1-14(2)13-32-16-9-6-8-15(12-16)22(30)28-24(33)27-18-11-7-10-17-19(26)21(34-20(17)18)23(31)29-25(3,4)5/h6-12,14H,13H2,1-5H3,(H,29,31)(H2,27,28,30,33)