N-[(4-heptoxyphenyl)carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[(4-heptoxyphenyl)carbamothioyl]-2-methyl-propanamide Openeye Name: N-[(4-heptoxyphenyl)carbamothioyl]-2-methyl-propanamide CAS Name: N-[(4-heptoxyanilino)-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[(4-heptoxyphenyl)carbamothioyl]-2-methylpropanamide Traditional Name: N-[(4-heptoxyphenyl)thiocarbamoyl]-2-methyl-propionamide Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C(C)C

InChI

InChI=1S/C18H28N2O2S/c1-4-5-6-7-8-13-22-16-11-9-15(10-12-16)19-18(23)20-17(21)14(2)3/h9-12,14H,4-8,13H2,1-3H3,(H2,19,20,21,23)