N-[[[4-[(2,4-dichlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[[4-[(2,4-dichlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[[4-(2,4-dichloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[4-(2,4-dichloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[[4-(2,4-dichloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]thiophene-2-carboxamide Formula: C16H14Cl2N4O3S2 MolecularWeight: 445.34336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CSC(=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H14Cl2N4O3S2/c17-9-3-4-11(10(18)8-9)19-13(23)5-6-14(24)21-22-16(26)20-15(25)12-2-1-7-27-12/h1-4,7-8H,5-6H2,(H,19,23)(H,21,24)(H2,20,22,25,26)