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

Systemtic Name: N-[(3-hexoxyphenyl)carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[(3-hexoxyphenyl)carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[(3-hexoxyanilino)-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[(3-hexoxyphenyl)carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[(3-hexoxyphenyl)thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C21H25IN2O3S MolecularWeight: 512.40427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C21H25IN2O3S/c1-3-4-5-6-12-27-17-9-7-8-16(14-17)23-21(28)24-20(25)15-10-11-19(26-2)18(22)13-15/h7-11,13-14H,3-6,12H2,1-2H3,(H2,23,24,25,28)