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

Systemtic Name: N-[[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C28H26ClN5O4S MolecularWeight: 564.05514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26ClN5O4S/c1-16(2)17-6-10-25-22(13-17)31-27(38-25)20-15-19(7-8-21(20)29)30-28(39)32-26(35)18-5-9-23(24(14-18)34(36)37)33-11-3-4-12-33/h5-10,13-16H,3-4,11-12H2,1-2H3,(H2,30,32,35,39)