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

Systemtic Name: 3-chloranyl-6-methoxy-N-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[[(4-anilino-4-oxo-butanoyl)amino]carbamothioyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide CAS Name: N-[[(4-anilino-1,4-dioxobutyl)hydrazo]-sulfanylidenemethyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: N-[[(4-anilino-4-oxobutanoyl)amino]carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: N-[[(4-anilino-4-keto-butanoyl)amino]thiocarbamoyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide Formula: C21H19ClN4O4S2 MolecularWeight: 490.98296

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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=C3)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=O)CCC(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H19ClN4O4S2/c1-30-13-7-8-14-15(11-13)32-19(18(14)22)20(29)24-21(31)26-25-17(28)10-9-16(27)23-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,23,27)(H,25,28)(H2,24,26,29,31)