4-[(4-tert-butylphenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(4-tert-butylphenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[(4-tert-butylphenyl)methyl]-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-[(4-tert-butylphenyl)methyl]-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(4-tert-butylphenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-tert-butylbenzyl)-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C21H29N3OS/c1-21(2,3)18-8-6-17(7-9-18)16-23-10-12-24(13-11-23)20(26)22-15-19-5-4-14-25-19/h4-9,14H,10-13,15-16H2,1-3H3,(H,22,26)