N-(2-azanyl-3-sulfanyl-propyl)-N-[1-(3-methanoyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide

Systemtic Name: N-(2-azanyl-3-sulfanyl-propyl)-N-[1-(3-methanoyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide Openeye Name: N-(2-amino-3-sulfanyl-propyl)-N-[1-(3-formyl-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-2-methyl-propyl]acetamide CAS Name: N-(2-amino-3-mercaptopropyl)-N-[1-(3-formyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide IUPAC Name: N-(2-amino-3-sulfanylpropyl)-N-[1-(3-formyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide Traditional Name: N-(2-amino-3-mercapto-propyl)-N-[1-(3-formyl-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-2-methyl-propyl]acetamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)N(CC(CS)N)C(=O)C

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1)C=O)N(CC(CS)N)C(=O)C

InChI

InChI=1S/C20H29N3O3S/c1-12(2)19(23(13(3)25)9-15(21)11-27)20(26)18-17-7-5-4-6-14(17)8-16(10-24)22-18/h4-7,10,12,15-16,18-19,22,27H,8-9,11,21H2,1-3H3