3-bromanyl-N-[(4-heptoxyphenyl)carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[(4-heptoxyphenyl)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[(4-heptoxyanilino)-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[(4-heptoxyphenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C22H27BrN2O2S MolecularWeight: 463.43098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O2S/c1-3-4-5-6-7-14-27-19-12-10-18(11-13-19)24-22(28)25-21(26)17-9-8-16(2)20(23)15-17/h8-13,15H,3-7,14H2,1-2H3,(H2,24,25,26,28)