4-chloranyl-3-nitro-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioyl]benzamide Openeye Name: N-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-N-[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C19H18ClN5O5S MolecularWeight: 463.89472

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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(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O5S/c20-14-7-6-13(10-15(14)25(29)30)18(28)22-19(31)24-23-17(27)9-8-16(26)21-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,26)(H,23,27)(H2,22,24,28,31)