4-tert-butyl-N-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-[4-(2-furoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C27H30N4O3S/c1-27(2,3)20-8-6-19(7-9-20)24(32)29-26(35)28-21-10-12-22(13-11-21)30-14-16-31(17-15-30)25(33)23-5-4-18-34-23/h4-13,18H,14-17H2,1-3H3,(H2,28,29,32,35)