2-[2-(2-methyl-1H-indol-3-yl)ethanoyl]-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-[2-(2-methyl-1H-indol-3-yl)ethanoyl]-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(2-methyl-1H-indol-3-yl)acetyl]-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[2-(2-methyl-1H-indol-3-yl)-1-oxoethyl]-N-(3-pyridinylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(2-methyl-1H-indol-3-yl)acetyl]-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(2-methyl-1H-indol-3-yl)acetyl]-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CC(=O)N3CCCN3C(=S)NCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)CC(=O)N3CCCN3C(=S)NCC4=CN=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-15-18(17-7-2-3-8-19(17)24-15)12-20(27)25-10-5-11-26(25)21(28)23-14-16-6-4-9-22-13-16/h2-4,6-9,13,24H,5,10-12,14H2,1H3,(H,23,28)