N-(4-butylphenyl)pyrrolidine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)pyrrolidine-1-carbothioamide Openeye Name: N-(4-butylphenyl)pyrrolidine-1-carbothioamide CAS Name: N-(4-butylphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(4-butylphenyl)pyrrolidine-1-carbothioamide Traditional Name: N-(4-butylphenyl)pyrrolidine-1-carbothioamide Formula: C15H22N2S MolecularWeight: 262.41358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCCC2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCCC2

InChI

InChI=1S/C15H22N2S/c1-2-3-6-13-7-9-14(10-8-13)16-15(18)17-11-4-5-12-17/h7-10H,2-6,11-12H2,1H3,(H,16,18)