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

Systemtic Name: N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-4-ethoxy-benzamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

InChI

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