5-bromanyl-N-[(4-heptoxyphenyl)carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-heptoxyphenyl)carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[(4-heptoxyanilino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[(4-heptoxyphenyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C24H31BrN2O3S MolecularWeight: 507.48354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC

InChI

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