tert-butyl 3-[(piperidin-1-ylcarbothioylamino)methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(piperidin-1-ylcarbothioylamino)methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(piperidine-1-carbothioylamino)methyl]indole-1-carboxylate CAS Name: 3-[[[1-piperidinyl(sulfanylidene)methyl]amino]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(piperidine-1-carbothioylamino)methyl]indole-1-carboxylate Traditional Name: 3-[(piperidine-1-carbothioylamino)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNC(=S)N3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNC(=S)N3CCCCC3

InChI

InChI=1S/C20H27N3O2S/c1-20(2,3)25-19(24)23-14-15(16-9-5-6-10-17(16)23)13-21-18(26)22-11-7-4-8-12-22/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3,(H,21,26)