3-chloranyl-N-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(4-phenoxyphenyl)thiazol-2-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[4-(4-phenoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(4-phenoxyphenyl)thiazol-2-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H16ClN3O2S3 MolecularWeight: 522.06144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CSC(=N3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CSC(=N3)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H16ClN3O2S3/c26-21-18-8-4-5-9-20(18)34-22(21)23(30)28-24(32)29-25-27-19(14-33-25)15-10-12-17(13-11-15)31-16-6-2-1-3-7-16/h1-14H,(H2,27,28,29,30,32)