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

Systemtic Name: 3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[4-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(4-propionamidophenyl)thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4S/c1-2-19(27)22-15-6-8-16(9-7-15)23-21(31)24-20(28)14-5-10-17(18(13-14)26(29)30)25-11-3-4-12-25/h5-10,13H,2-4,11-12H2,1H3,(H,22,27)(H2,23,24,28,31)