3-chloranyl-N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[[4-(4-ethoxyanilino)-4-oxo-butanoyl]amino]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[[4-(4-ethoxyanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[[4-keto-4-(p-phenetidino)butanoyl]amino]thiocarbamoyl]benzamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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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=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4S/c1-2-29-16-8-6-15(7-9-16)22-17(26)10-11-18(27)24-25-20(30)23-19(28)13-4-3-5-14(21)12-13/h3-9,12H,2,10-11H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28,30)