3-chloranyl-6-methoxy-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methoxy-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[[[4-(o-toluoylamino)benzoyl]amino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C26H21ClN4O4S2 MolecularWeight: 553.05234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)OC)Cl

InChI

InChI=1S/C26H21ClN4O4S2/c1-14-5-3-4-6-18(14)24(33)28-16-9-7-15(8-10-16)23(32)30-31-26(36)29-25(34)22-21(27)19-12-11-17(35-2)13-20(19)37-22/h3-13H,1-2H3,(H,28,33)(H,30,32)(H2,29,31,34,36)