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

Systemtic Name: N-[[3-[(2,4-dichlorophenyl)carbonylamino]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[3-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[3-[[(2,4-dichlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[3-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H21Cl2N5O4S MolecularWeight: 558.43634

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21Cl2N5O4S/c26-16-7-8-19(20(27)13-16)24(34)28-17-4-3-5-18(14-17)29-25(37)30-23(33)15-6-9-21(22(12-15)32(35)36)31-10-1-2-11-31/h3-9,12-14H,1-2,10-11H2,(H,28,34)(H2,29,30,33,37)