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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H17ClN2S MolecularWeight: 316.84828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H17ClN2S/c1-12-15(18)7-4-8-16(12)19-17(21)20-10-9-13-5-2-3-6-14(13)11-20/h2-8H,9-11H2,1H3,(H,19,21)