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

Systemtic Name: N-[[3-[(3-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[3-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[3-[[(3-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[3-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[3-[(3-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=C4)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=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H22ClN5O4S/c26-18-6-3-5-16(13-18)23(32)27-19-7-4-8-20(15-19)28-25(36)29-24(33)17-9-10-21(22(14-17)31(34)35)30-11-1-2-12-30/h3-10,13-15H,1-2,11-12H2,(H,27,32)(H2,28,29,33,36)