4-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-butyl-5,6,7,8-tetrahydroisoquinoline-3-thione

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-butyl-5,6,7,8-tetrahydroisoquinoline-3-thione Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-butyl-5,6,7,8-tetrahydroisoquinoline-3-thione CAS Name: 4-[(1,3-benzoxazol-2-ylthio)methyl]-2-butyl-5,6,7,8-tetrahydroisoquinoline-3-thione IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-butyl-5,6,7,8-tetrahydroisoquinoline-3-thione Traditional Name: 4-[(1,3-benzoxazol-2-ylthio)methyl]-2-butyl-5,6,7,8-tetrahydroisoquinoline-3-thione Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C2CCCCC2=C(C1=S)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCCN1C=C2CCCCC2=C(C1=S)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N2OS2/c1-2-3-12-23-13-15-8-4-5-9-16(15)17(20(23)25)14-26-21-22-18-10-6-7-11-19(18)24-21/h6-7,10-11,13H,2-5,8-9,12,14H2,1H3