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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

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