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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(3-methoxyphenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(3-methoxybenzoyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(3-methoxybenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-(m-anisoylthiocarbamoylamino)benzothiophene-2-carboxamide Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OC)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OC)Cl

InChI

InChI=1S/C22H22ClN3O3S2/c1-22(2,3)26-20(28)18-16(23)14-9-6-10-15(17(14)31-18)24-21(30)25-19(27)12-7-5-8-13(11-12)29-4/h5-11H,1-4H3,(H,26,28)(H2,24,25,27,30)