3-chloranyl-N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-6-methoxy-benzothiophene-2-carboxamide Formula: C21H18Cl2N4O4S2 MolecularWeight: 525.42802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)CCC(=O)NC3=CC=CC=C3Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)CCC(=O)NC3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C21H18Cl2N4O4S2/c1-31-11-6-7-12-15(10-11)33-19(18(12)23)20(30)25-21(32)27-26-17(29)9-8-16(28)24-14-5-3-2-4-13(14)22/h2-7,10H,8-9H2,1H3,(H,24,28)(H,26,29)(H2,25,27,30,32)