3-bromanyl-N-[(3-heptoxyphenyl)carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-heptoxyphenyl)carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-N-[(3-heptoxyphenyl)carbamothioyl]-4-isopropoxy-benzamide CAS Name: 3-bromo-N-[(3-heptoxyanilino)-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[(3-heptoxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-N-[(3-heptoxyphenyl)thiocarbamoyl]-4-isopropoxy-benzamide Formula: C24H31BrN2O3S MolecularWeight: 507.48354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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