N-(4-butyl-2-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H26N2S MolecularWeight: 338.50954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2S/c1-3-4-7-17-10-11-20(16(2)14-17)22-21(24)23-13-12-18-8-5-6-9-19(18)15-23/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3,(H,22,24)