4-hexoxy-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-hexoxy-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[(3-isopentyloxyphenyl)carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[(3-isoamoxyphenyl)thiocarbamoyl]benzamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC(C)C

InChI

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