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

Systemtic Name: N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-4-fluoro-benzamide Formula: C18H16ClFN4O3S MolecularWeight: 422.861043

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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=C(C=C2)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F)Cl

InChI

InChI=1S/C18H16ClFN4O3S/c19-13-3-1-2-4-14(13)21-15(25)9-10-16(26)23-24-18(28)22-17(27)11-5-7-12(20)8-6-11/h1-8H,9-10H2,(H,21,25)(H,23,26)(H2,22,24,27,28)