N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C19H18ClN5O5S MolecularWeight: 463.89472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O5S/c1-11-14(20)6-3-7-15(11)21-16(26)8-9-17(27)23-24-19(31)22-18(28)12-4-2-5-13(10-12)25(29)30/h2-7,10H,8-9H2,1H3,(H,21,26)(H,23,27)(H2,22,24,28,31)