N-(2,5-dimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H20N2S MolecularWeight: 296.4298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H20N2S/c1-13-7-8-14(2)17(11-13)19-18(21)20-10-9-15-5-3-4-6-16(15)12-20/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)