N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C21H23ClN4O4S/c1-3-30-15-9-7-14(8-10-15)20(29)24-21(31)26-25-19(28)12-11-18(27)23-17-6-4-5-16(22)13(17)2/h4-10H,3,11-12H2,1-2H3,(H,23,27)(H,25,28)(H2,24,26,29,31)