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

Systemtic Name: N-[1-(cyclohexylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride Openeye Name: N-[1-(cyclohexylcarbamoyl)-3-methylsulfanyl-propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride CAS Name: N-[1-(cyclohexylamino)-4-(methylthio)-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride IUPAC Name: N-[1-(cyclohexylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride Traditional Name: N-[1-(cyclohexylcarbamoyl)-3-(methylthio)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride Formula: C21H32ClN3O2S MolecularWeight: 426.01568

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CCCCC1)NC(=O)C2CC3=CC=CC=C3CN2.Cl

Isomeric SMILES

CSCCC(C(=O)NC1CCCCC1)NC(=O)C2CC3=CC=CC=C3CN2.Cl

InChI

InChI=1S/C21H31N3O2S.ClH/c1-27-12-11-18(20(25)23-17-9-3-2-4-10-17)24-21(26)19-13-15-7-5-6-8-16(15)14-22-19;/h5-8,17-19,22H,2-4,9-14H2,1H3,(H,23,25)(H,24,26);1H