N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[4-(4-chlorophenoxy)phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C24H21ClN4O4S MolecularWeight: 496.96594

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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)OC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H21ClN4O4S/c25-17-4-8-19(9-5-17)33-20-10-6-18(7-11-20)26-24(34)27-23(30)16-3-12-21(22(15-16)29(31)32)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,26,27,30,34)