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

Systemtic Name: N-[(3-heptoxyphenyl)carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[(3-heptoxyphenyl)carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[(3-heptoxyanilino)-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[(3-heptoxyphenyl)carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[(3-heptoxyphenyl)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C22H27IN2O2S MolecularWeight: 510.43145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27IN2O2S/c1-3-4-5-6-7-13-27-19-10-8-9-18(15-19)24-22(28)25-21(26)17-12-11-16(2)20(23)14-17/h8-12,14-15H,3-7,13H2,1-2H3,(H2,24,25,26,28)