N-tert-butyl-3-chloranyl-7-(phenylcarbonylcarbamothioylamino)-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-(phenylcarbonylcarbamothioylamino)-1-benzothiophene-2-carboxamide Openeye Name: 7-(benzoylcarbamothioylamino)-N-tert-butyl-3-chloro-benzothiophene-2-carboxamide CAS Name: 7-[[benzamido(sulfanylidene)methyl]amino]-N-tert-butyl-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: 7-(benzoylcarbamothioylamino)-N-tert-butyl-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: 7-(benzoylthiocarbamoylamino)-N-tert-butyl-3-chloro-benzothiophene-2-carboxamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O2S2/c1-21(2,3)25-19(27)17-15(22)13-10-7-11-14(16(13)29-17)23-20(28)24-18(26)12-8-5-4-6-9-12/h4-11H,1-3H3,(H,25,27)(H2,23,24,26,28)