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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(3-nitro-4-pyrrolidino-benzoyl)thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C25H26ClN5O4S2 MolecularWeight: 560.08804

Click to see the large picture

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)N4CCCC4)[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)N4CCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H26ClN5O4S2/c1-25(2,3)29-23(33)21-19(26)15-7-6-8-16(20(15)37-21)27-24(36)28-22(32)14-9-10-17(18(13-14)31(34)35)30-11-4-5-12-30/h6-10,13H,4-5,11-12H2,1-3H3,(H,29,33)(H2,27,28,32,36)