N-(4-butylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(4-butylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(4-butylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(4-butylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(4-butylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(4-butylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H24N2S MolecularWeight: 324.48296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H24N2S/c1-2-3-6-16-9-11-19(12-10-16)21-20(23)22-14-13-17-7-4-5-8-18(17)15-22/h4-5,7-12H,2-3,6,13-15H2,1H3,(H,21,23)