N-[(4-heptoxyphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: N-[(4-heptoxyphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: N-[(4-heptoxyphenyl)carbamothioyl]-2-isobutoxy-benzamide CAS Name: N-[(4-heptoxyanilino)-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: N-[(4-heptoxyphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: N-[(4-heptoxyphenyl)thiocarbamoyl]-2-isobutoxy-benzamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCC(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCC(C)C

InChI

InChI=1S/C25H34N2O3S/c1-4-5-6-7-10-17-29-21-15-13-20(14-16-21)26-25(31)27-24(28)22-11-8-9-12-23(22)30-18-19(2)3/h8-9,11-16,19H,4-7,10,17-18H2,1-3H3,(H2,26,27,28,31)