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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(2-nitrophenyl)carbonylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(2-nitrobenzoyl)amino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[(2-nitrophenyl)-oxomethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(2-nitrobenzoyl)amino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(2-nitrobenzoyl)amino]benzothiophene-2-carboxamide Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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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=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4S/c1-20(2,3)23-19(26)17-15(21)12-8-6-9-13(16(12)29-17)22-18(25)11-7-4-5-10-14(11)24(27)28/h4-10H,1-3H3,(H,22,25)(H,23,26)