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

Systemtic Name: N-(2,4,5-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2,4,5-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2,4,5-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2,4,5-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2,4,5-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C19H22N2S MolecularWeight: 310.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C19H22N2S/c1-13-10-15(3)18(11-14(13)2)20-19(22)21-9-8-16-6-4-5-7-17(16)12-21/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,22)