N-[(4-heptoxyphenyl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(4-heptoxyphenyl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(4-heptoxyphenyl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[(4-heptoxyanilino)-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(4-heptoxyphenyl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(4-heptoxyphenyl)thiocarbamoyl]-3-methyl-butyramide Formula: C19H30N2O2S MolecularWeight: 350.5187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O2S/c1-4-5-6-7-8-13-23-17-11-9-16(10-12-17)20-19(24)21-18(22)14-15(2)3/h9-12,15H,4-8,13-14H2,1-3H3,(H2,20,21,22,24)