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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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