N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]pentanamide Openeye Name: N-[(4-isopentyloxyphenyl)carbamothioyl]pentanamide CAS Name: N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]pentanamide Traditional Name: N-[(4-isoamoxyphenyl)thiocarbamoyl]valeramide Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)OCCC(C)C

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)OCCC(C)C

InChI

InChI=1S/C17H26N2O2S/c1-4-5-6-16(20)19-17(22)18-14-7-9-15(10-8-14)21-12-11-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H2,18,19,20,22)