N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]octanamide

Systemtic Name: N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]octanamide Openeye Name: N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]octanamide CAS Name: N-[[2-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]octanamide Traditional Name: N-[[2-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]caprylamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCCC2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCCC2

InChI

InChI=1S/C20H29N3O2S/c1-2-3-4-5-6-13-18(24)22-20(26)21-17-12-8-7-11-16(17)19(25)23-14-9-10-15-23/h7-8,11-12H,2-6,9-10,13-15H2,1H3,(H2,21,22,24,26)