N-[1-(furan-2-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[1-(furan-2-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[1-(2-furylmethylcarbamoyl)-3-methylsulfanyl-propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[1-(2-furanylmethylamino)-4-(methylthio)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[1-(furan-2-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[1-(2-furfurylcarbamoyl)-3-(methylthio)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CO1)NC(=O)C2CC3=CC=CC=C3CN2

Isomeric SMILES

CSCCC(C(=O)NCC1=CC=CO1)NC(=O)C2CC3=CC=CC=C3CN2

InChI

InChI=1S/C20H25N3O3S/c1-27-10-8-17(19(24)22-13-16-7-4-9-26-16)23-20(25)18-11-14-5-2-3-6-15(14)12-21-18/h2-7,9,17-18,21H,8,10-13H2,1H3,(H,22,24)(H,23,25)