N-[(3-heptoxyphenyl)carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[(3-heptoxyphenyl)carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[(3-heptoxyphenyl)carbamothioyl]-2-iodo-benzamide CAS Name: N-[(3-heptoxyanilino)-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[(3-heptoxyphenyl)carbamothioyl]-2-iodobenzamide Traditional Name: N-[(3-heptoxyphenyl)thiocarbamoyl]-2-iodo-benzamide Formula: C21H25IN2O2S MolecularWeight: 496.40487

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2I

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C21H25IN2O2S/c1-2-3-4-5-8-14-26-17-11-9-10-16(15-17)23-21(27)24-20(25)18-12-6-7-13-19(18)22/h6-7,9-13,15H,2-5,8,14H2,1H3,(H2,23,24,25,27)