5-[2,5-bis(chloranyl)phenyl]-N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-[2,5-bis(chloranyl)phenyl]-N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide CAS Name: N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-5-(2,5-dichlorophenyl)-2-furancarboxamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide Traditional Name: N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-5-(2,5-dichlorophenyl)-2-furamide Formula: C30H25Cl3N4O3S MolecularWeight: 627.9685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=C(C=CC(=C5)Cl)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)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/C30H25Cl3N4O3S/c1-18-4-2-3-5-21(18)29(39)37-14-12-36(13-15-37)25-9-7-20(17-24(25)33)34-30(41)35-28(38)27-11-10-26(40-27)22-16-19(31)6-8-23(22)32/h2-11,16-17H,12-15H2,1H3,(H2,34,35,38,41)