N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]coumarilamide Formula: C25H21ClN4O3S2 MolecularWeight: 525.04224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)Cl)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3)Cl)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H21ClN4O3S2/c26-18-15-17(27-25(34)28-23(31)21-14-16-4-1-2-5-20(16)33-21)7-8-19(18)29-9-11-30(12-10-29)24(32)22-6-3-13-35-22/h1-8,13-15H,9-12H2,(H2,27,28,31,34)