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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C22H21ClN4O5S2 MolecularWeight: 521.00894

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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)OC)[N+](=O)[O-])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)OC)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN4O5S2/c1-22(2,3)26-20(29)18-16(23)12-6-5-7-13(17(12)34-18)24-21(33)25-19(28)11-8-9-15(32-4)14(10-11)27(30)31/h5-10H,1-4H3,(H,26,29)(H2,24,25,28,33)