3-bromanyl-4-butoxy-N-[(3-hexoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(3-hexoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(3-hexoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(3-hexoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(3-hexoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(3-hexoxyphenyl)thiocarbamoyl]benzamide Formula: C24H31BrN2O3S MolecularWeight: 507.48354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCCC)Br

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCCC)Br

InChI

InChI=1S/C24H31BrN2O3S/c1-3-5-7-8-15-29-20-11-9-10-19(17-20)26-24(31)27-23(28)18-12-13-22(21(25)16-18)30-14-6-4-2/h9-13,16-17H,3-8,14-15H2,1-2H3,(H2,26,27,28,31)