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

Systemtic Name: N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamothioyl]-2-methoxybenzamide Traditional Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2OC

InChI

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