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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O4S/c1-17-5-4-6-18(15-17)24(32)27-20-8-10-21(11-9-20)28-26(36)29-25(33)19-7-12-22(23(16-19)31(34)35)30-13-2-3-14-30/h4-12,15-16H,2-3,13-14H2,1H3,(H,27,32)(H2,28,29,33,36)