N-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[[4-(2,5-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[4-(2,5-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[[4-(2,5-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]thiophene-2-carboxamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H20N4O3S2/c1-11-5-6-12(2)13(10-11)19-15(23)7-8-16(24)21-22-18(26)20-17(25)14-4-3-9-27-14/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)(H,21,24)(H2,20,22,25,26)