N-tert-butyl-3-chloranyl-7-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(2-morpholino-5-nitro-benzoyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(2-morpholin-4-yl-5-nitrobenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(2-morpholino-5-nitro-benzoyl)thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C25H26ClN5O5S2 MolecularWeight: 576.08744

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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=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

InChI

InChI=1S/C25H26ClN5O5S2/c1-25(2,3)29-23(33)21-19(26)15-5-4-6-17(20(15)38-21)27-24(37)28-22(32)16-13-14(31(34)35)7-8-18(16)30-9-11-36-12-10-30/h4-8,13H,9-12H2,1-3H3,(H,29,33)(H2,27,28,32,37)