3,4-bis(chloranyl)-N-[[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 3,4-dichloro-N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 3,4-dichloro-N-[[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dichloro-N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 3,4-dichloro-N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C28H27Cl3N4O3S MolecularWeight: 605.96298

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)Cl)Cl)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)Cl)Cl)Cl

InChI

InChI=1S/C28H27Cl3N4O3S/c1-2-15-38-21-7-3-18(4-8-21)27(37)35-13-11-34(12-14-35)25-10-6-20(17-24(25)31)32-28(39)33-26(36)19-5-9-22(29)23(30)16-19/h3-10,16-17H,2,11-15H2,1H3,(H2,32,33,36,39)