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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(2-chloro-4-nitro-benzoyl)amino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(2-chloro-4-nitrobenzoyl)amino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(2-chloro-4-nitro-benzoyl)amino]benzothiophene-2-carboxamide Formula: C20H17Cl2N3O4S MolecularWeight: 466.33768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C20H17Cl2N3O4S/c1-20(2,3)24-19(27)17-15(22)12-5-4-6-14(16(12)30-17)23-18(26)11-8-7-10(25(28)29)9-13(11)21/h4-9H,1-3H3,(H,23,26)(H,24,27)