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

Systemtic Name: N-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2-benzoyl-4-chloro-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(2-benzoyl-4-chloroanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2-benzoyl-4-chloro-phenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H21ClN4O4S MolecularWeight: 508.97664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN4O4S/c26-18-9-10-20(19(15-18)23(31)16-6-2-1-3-7-16)27-25(35)28-24(32)17-8-11-21(22(14-17)30(33)34)29-12-4-5-13-29/h1-3,6-11,14-15H,4-5,12-13H2,(H2,27,28,32,35)