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N-(3-methylsulfanylpropyl)-N-[3-methyl-2-(3-sulfanylpropylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-(3-methylsulfanylpropyl)-N-[3-methyl-2-(3-sulfanylpropylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name:N-(3-methylsulfanylpropyl)-N-[3-methyl-2-(3-sulfanylpropylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Openeye Name:N-(3-methylsulfanylpropyl)-N-[3-methyl-2-(3-sulfanylpropylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CAS Name:N-[2-(3-mercaptopropylamino)-3-methyl-1-oxobutyl]-N-[3-(methylthio)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
IUPAC Name:N-(3-methylsulfanylpropyl)-N-[3-methyl-2-(3-sulfanylpropylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Traditional Name:N-[2-(3-mercaptopropylamino)-3-methyl-butanoyl]-N-[3-(methylthio)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Formula: C22H35N3O2S2
MolecularWeight: 437.6622
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(CCCSC)C(=O)C1CC2=CC=CC=C2CN1)NCCCS


Isomeric SMILES

CC(C)C(C(=O)N(CCCSC)C(=O)C1CC2=CC=CC=C2CN1)NCCCS


InChI

InChI=1S/C22H35N3O2S2/c1-16(2)20(23-10-6-12-28)22(27)25(11-7-13-29-3)21(26)19-14-17-8-4-5-9-18(17)15-24-19/h4-5,8-9,16,19-20,23-24,28H,6-7,10-15H2,1-3H3


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