1-[2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-4-sulfanylidene-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: 1-[2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-4-sulfanylidene-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: 1-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-dimethyl-3-thioxo-propyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: 1-[2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-4-sulfanylidenebutan-2-yl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-4-sulfanylidenebutan-2-yl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-dimethyl-3-thioxo-propyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=S)N1CCC2=CC=CC=C2C1)NCC(=O)N3CCCC3C#N

Isomeric SMILES

CC(C)(CC(=S)N1CCC2=CC=CC=C2C1)NCC(=O)N3CCCC3C#N

InChI

InChI=1S/C21H28N4OS/c1-21(2,23-14-19(26)25-10-5-8-18(25)13-22)12-20(27)24-11-9-16-6-3-4-7-17(16)15-24/h3-4,6-7,18,23H,5,8-12,14-15H2,1-2H3