N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C28H27N5O4S MolecularWeight: 529.61008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N5O4S/c1-16-12-18(3)25-22(13-16)29-27(37-25)20-7-6-17(2)21(14-20)30-28(38)31-26(34)19-8-9-23(24(15-19)33(35)36)32-10-4-5-11-32/h6-9,12-15H,4-5,10-11H2,1-3H3,(H2,30,31,34,38)