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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(3-methylphenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(3-methylbenzoyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(3-methylbenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-(m-toluoylthiocarbamoylamino)benzothiophene-2-carboxamide Formula: C22H22ClN3O2S2 MolecularWeight: 460.01198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2SC(=C3Cl)C(=O)NC(C)(C)C

InChI

InChI=1S/C22H22ClN3O2S2/c1-12-7-5-8-13(11-12)19(27)25-21(29)24-15-10-6-9-14-16(23)18(30-17(14)15)20(28)26-22(2,3)4/h5-11H,1-4H3,(H,26,28)(H2,24,25,27,29)