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

Systemtic Name: N-[[3-[(2-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[3-[[(2-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H22ClN5O4S MolecularWeight: 523.99128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H22ClN5O4S/c26-20-9-2-1-8-19(20)24(33)27-17-6-5-7-18(15-17)28-25(36)29-23(32)16-10-11-21(22(14-16)31(34)35)30-12-3-4-13-30/h1-2,5-11,14-15H,3-4,12-13H2,(H,27,33)(H2,28,29,32,36)