N-[(3-heptoxyphenyl)carbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[(3-heptoxyphenyl)carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[(3-heptoxyphenyl)carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[(3-heptoxyanilino)-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[(3-heptoxyphenyl)carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[(3-heptoxyphenyl)thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C22H27IN2O3S MolecularWeight: 526.43085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27IN2O3S/c1-3-4-5-6-7-13-28-18-10-8-9-17(15-18)24-22(29)25-21(26)16-11-12-20(27-2)19(23)14-16/h8-12,14-15H,3-7,13H2,1-2H3,(H2,24,25,26,29)