N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-2-methyl-benzamide

Systemtic Name: N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[[4-(4-ethoxyanilino)-4-oxo-butanoyl]amino]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[[4-(4-ethoxyanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[[4-keto-4-(p-phenetidino)butanoyl]amino]thiocarbamoyl]-2-methyl-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C21H24N4O4S/c1-3-29-16-10-8-15(9-11-16)22-18(26)12-13-19(27)24-25-21(30)23-20(28)17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H,24,27)(H2,23,25,28,30)