N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C18H16ClN5O5S MolecularWeight: 449.86814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O5S/c19-13-6-1-2-7-14(13)20-15(25)8-9-16(26)22-23-18(30)21-17(27)11-4-3-5-12(10-11)24(28)29/h1-7,10H,8-9H2,(H,20,25)(H,22,26)(H2,21,23,27,30)