5-[2,3-bis(chloranyl)phenyl]-N-[[3-chloranyl-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-[2,3-bis(chloranyl)phenyl]-N-[[3-chloranyl-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide CAS Name: N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-(2,3-dichlorophenyl)-2-furancarboxamide IUPAC Name: N-[[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide Traditional Name: N-[[3-chloro-4-[4-(2-chlorobenzyl)piperazino]phenyl]thiocarbamoyl]-5-(2,3-dichlorophenyl)-2-furamide Formula: C29H24Cl4N4O2S MolecularWeight: 634.40346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Cl)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=C(C(=CC=C5)Cl)Cl)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Cl)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=C(C(=CC=C5)Cl)Cl)Cl

InChI

InChI=1S/C29H24Cl4N4O2S/c30-21-6-2-1-4-18(21)17-36-12-14-37(15-13-36)24-9-8-19(16-23(24)32)34-29(40)35-28(38)26-11-10-25(39-26)20-5-3-7-22(31)27(20)33/h1-11,16H,12-15,17H2,(H2,34,35,38,40)