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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(3-chloro-4-methyl-benzoyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(3-chloro-4-methylbenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(3-chloro-4-methyl-benzoyl)thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C22H21Cl2N3O2S2 MolecularWeight: 494.45704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N3O2S2/c1-11-8-9-12(10-14(11)23)19(28)26-21(30)25-15-7-5-6-13-16(24)18(31-17(13)15)20(29)27-22(2,3)4/h5-10H,1-4H3,(H,27,29)(H2,25,26,28,30)