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

Systemtic Name: N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[3-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[[3-(o-toluoylamino)phenyl]thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C26H25N5O4S MolecularWeight: 503.5728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O4S/c1-17-7-2-3-10-21(17)25(33)27-19-8-6-9-20(16-19)28-26(36)29-24(32)18-11-12-22(23(15-18)31(34)35)30-13-4-5-14-30/h2-3,6-12,15-16H,4-5,13-14H2,1H3,(H,27,33)(H2,28,29,32,36)