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

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-(oxolan-2-ylmethylamino)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride Openeye Name: N-[3-methylsulfanyl-1-(tetrahydrofuran-2-ylmethylcarbamoyl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride CAS Name: N-[4-(methylthio)-1-oxo-1-(2-oxolanylmethylamino)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride Traditional Name: N-[3-(methylthio)-1-(tetrahydrofurfurylcarbamoyl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride Formula: C20H30ClN3O3S MolecularWeight: 427.9885

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1CCCO1)NC(=O)C2CC3=CC=CC=C3CN2.Cl

Isomeric SMILES

CSCCC(C(=O)NCC1CCCO1)NC(=O)C2CC3=CC=CC=C3CN2.Cl

InChI

InChI=1S/C20H29N3O3S.ClH/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;/h2-3,5-6,16-18,21H,4,7-13H2,1H3,(H,22,24)(H,23,25);1H