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

Systemtic Name: N-[[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-fluorobenzamide Traditional Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazino]phenyl]thiocarbamoyl]-3-fluoro-benzamide Formula: C28H28ClFN4O3S MolecularWeight: 555.063323

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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(=CC=C4)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClFN4O3S/c1-2-16-37-23-9-6-19(7-10-23)27(36)34-14-12-33(13-15-34)25-11-8-22(18-24(25)29)31-28(38)32-26(35)20-4-3-5-21(30)17-20/h3-11,17-18H,2,12-16H2,1H3,(H2,31,32,35,38)