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

Systemtic Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C27H25N5O4S MolecularWeight: 515.5835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])C

InChI

InChI=1S/C27H25N5O4S/c1-16-5-6-19(13-17(16)2)26-29-21-15-20(8-10-24(21)36-26)28-27(37)30-25(33)18-7-9-22(23(14-18)32(34)35)31-11-3-4-12-31/h5-10,13-15H,3-4,11-12H2,1-2H3,(H2,28,30,33,37)