N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Openeye Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide CAS Name: N-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Traditional Name: N-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoyl]-4-(2-phenoxyethoxy)benzamide Formula: C25H20ClN3O4S2 MolecularWeight: 526.027

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)NC(=S)NNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)NC(=S)NNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C25H20ClN3O4S2/c26-21-19-8-4-5-9-20(19)35-22(21)24(31)28-29-25(34)27-23(30)16-10-12-18(13-11-16)33-15-14-32-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,28,31)(H2,27,29,30,34)