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

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-5-nitro-2-pyrrolidino-benzamide Formula: C26H22ClN5O5S MolecularWeight: 552.00138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5)Cl

InChI

InChI=1S/C26H22ClN5O5S/c1-36-22-8-4-15(12-19(22)27)25-29-20-13-16(5-9-23(20)37-25)28-26(38)30-24(33)18-14-17(32(34)35)6-7-21(18)31-10-2-3-11-31/h4-9,12-14H,2-3,10-11H2,1H3,(H2,28,30,33,38)