S-[[2-methyl-3-[2-[methyl(quinolin-4-ylmethyl)amino]ethyl]-1H-indol-5-yl]amino] piperidine-1-carbothioate

Systemtic Name: S-[[2-methyl-3-[2-[methyl(quinolin-4-ylmethyl)amino]ethyl]-1H-indol-5-yl]amino] piperidine-1-carbothioate Openeye Name: S-[[2-methyl-3-[2-[methyl(4-quinolylmethyl)amino]ethyl]-1H-indol-5-yl]amino] piperidine-1-carbothioate CAS Name: 1-piperidinecarbothioic acid S-[[2-methyl-3-[2-[methyl(4-quinolinylmethyl)amino]ethyl]-1H-indol-5-yl]amino] ester IUPAC Name: S-[[2-methyl-3-[2-[methyl(quinolin-4-ylmethyl)amino]ethyl]-1H-indol-5-yl]amino] piperidine-1-carbothioate Traditional Name: piperidine-1-carbothioic acid S-[[2-methyl-3-[2-[methyl(4-quinolylmethyl)amino]ethyl]-1H-indol-5-yl]amino] ester Formula: C28H33N5OS MolecularWeight: 487.65952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)NSC(=O)N3CCCCC3)CCN(C)CC4=CC=NC5=CC=CC=C45

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)NSC(=O)N3CCCCC3)CCN(C)CC4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C28H33N5OS/c1-20-23(13-17-32(2)19-21-12-14-29-26-9-5-4-8-24(21)26)25-18-22(10-11-27(25)30-20)31-35-28(34)33-15-6-3-7-16-33/h4-5,8-12,14,18,30-31H,3,6-7,13,15-17,19H2,1-2H3