S-[7-oxidanylidene-7-(quinolin-3-ylamino)heptyl] 2-methylpropanethioate

Systemtic Name: S-[7-oxidanylidene-7-(quinolin-3-ylamino)heptyl] 2-methylpropanethioate Openeye Name: S-[7-oxo-7-(3-quinolylamino)heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[7-oxo-7-(3-quinolinylamino)heptyl] ester IUPAC Name: S-[7-oxo-7-(quinolin-3-ylamino)heptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[7-keto-7-(3-quinolylamino)heptyl] ester Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCCC(=O)NC1=CC2=CC=CC=C2N=C1

Isomeric SMILES

CC(C)C(=O)SCCCCCCC(=O)NC1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C20H26N2O2S/c1-15(2)20(24)25-12-8-4-3-5-11-19(23)22-17-13-16-9-6-7-10-18(16)21-14-17/h6-7,9-10,13-15H,3-5,8,11-12H2,1-2H3,(H,22,23)