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

Systemtic Name: 7-[(4-bromophenyl)carbonylcarbamothioylamino]-N-tert-butyl-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: 7-[(4-bromobenzoyl)carbamothioylamino]-N-tert-butyl-3-chloro-benzothiophene-2-carboxamide CAS Name: 7-[[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-tert-butyl-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: 7-[(4-bromobenzoyl)carbamothioylamino]-N-tert-butyl-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: 7-[(4-bromobenzoyl)thiocarbamoylamino]-N-tert-butyl-3-chloro-benzothiophene-2-carboxamide Formula: C21H19BrClN3O2S2 MolecularWeight: 524.88146

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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=C(C=C3)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrClN3O2S2/c1-21(2,3)26-19(28)17-15(23)13-5-4-6-14(16(13)30-17)24-20(29)25-18(27)11-7-9-12(22)10-8-11/h4-10H,1-3H3,(H,26,28)(H2,24,25,27,29)