N-[(4-pentoxyphenyl)carbamothioyl]-3-pyridin-3-yl-propanamide

Systemtic Name: N-[(4-pentoxyphenyl)carbamothioyl]-3-pyridin-3-yl-propanamide Openeye Name: N-[(4-pentoxyphenyl)carbamothioyl]-3-(3-pyridyl)propanamide CAS Name: N-[(4-pentoxyanilino)-sulfanylidenemethyl]-3-(3-pyridinyl)propanamide IUPAC Name: N-[(4-pentoxyphenyl)carbamothioyl]-3-pyridin-3-ylpropanamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-3-(3-pyridyl)propionamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CN=CC=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCC2=CN=CC=C2

InChI

InChI=1S/C20H25N3O2S/c1-2-3-4-14-25-18-10-8-17(9-11-18)22-20(26)23-19(24)12-7-16-6-5-13-21-15-16/h5-6,8-11,13,15H,2-4,7,12,14H2,1H3,(H2,22,23,24,26)