N-(4-butyl-2-methyl-phenyl)-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-(furan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-4-[2-furanyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(2-furoyl)piperazine-1-carbothioamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)C

InChI

InChI=1S/C21H27N3O2S/c1-3-4-6-17-8-9-18(16(2)15-17)22-21(27)24-12-10-23(11-13-24)20(25)19-7-5-14-26-19/h5,7-9,14-15H,3-4,6,10-13H2,1-2H3,(H,22,27)