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

Systemtic Name: N-[[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H20ClN5O4S MolecularWeight: 521.9754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C4=NC5=C(O4)C=CC(=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C4=NC5=C(O4)C=CC(=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H20ClN5O4S/c26-17-6-10-22-19(14-17)28-24(35-22)15-3-7-18(8-4-15)27-25(36)29-23(32)16-5-9-20(21(13-16)31(33)34)30-11-1-2-12-30/h3-10,13-14H,1-2,11-12H2,(H2,27,29,32,36)