2-nitro-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]benzamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-2-nitro-benzamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O5S/c25-16(20-12-13-6-2-1-3-7-13)10-11-17(26)22-23-19(30)21-18(27)14-8-4-5-9-15(14)24(28)29/h1-9H,10-12H2,(H,20,25)(H,22,26)(H2,21,23,27,30)