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

Systemtic Name: 4-hexoxy-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[(4-isopentyloxyphenyl)carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[(4-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=C(C=C2)OCCC(C)C

Isomeric SMILES

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

InChI

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