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

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-(propylamino)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride Openeye Name: N-[3-methylsulfanyl-1-(propylcarbamoyl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride CAS Name: N-[4-(methylthio)-1-oxo-1-(propylamino)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-(propylamino)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride Traditional Name: N-[3-(methylthio)-1-(propylcarbamoyl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride Formula: C18H28ClN3O2S MolecularWeight: 385.95182

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(CCSC)NC(=O)C1CC2=CC=CC=C2CN1.Cl

Isomeric SMILES

CCCNC(=O)C(CCSC)NC(=O)C1CC2=CC=CC=C2CN1.Cl

InChI

InChI=1S/C18H27N3O2S.ClH/c1-3-9-19-17(22)15(8-10-24-2)21-18(23)16-11-13-6-4-5-7-14(13)12-20-16;/h4-7,15-16,20H,3,8-12H2,1-2H3,(H,19,22)(H,21,23);1H