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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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