3-iodanyl-4-methyl-N-[naphthalen-1-yl(4-oxidanylbutyl)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-[naphthalen-1-yl(4-oxidanylbutyl)carbamothioyl]benzamide Openeye Name: N-[4-hydroxybutyl(1-naphthyl)carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[4-hydroxybutyl(1-naphthalenyl)amino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[4-hydroxybutyl(naphthalen-1-yl)carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[4-hydroxybutyl(1-naphthyl)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C23H23IN2O2S MolecularWeight: 518.41039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)C2=CC=CC3=CC=CC=C32)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)C2=CC=CC3=CC=CC=C32)I

InChI

InChI=1S/C23H23IN2O2S/c1-16-11-12-18(15-20(16)24)22(28)25-23(29)26(13-4-5-14-27)21-10-6-8-17-7-2-3-9-19(17)21/h2-3,6-12,15,27H,4-5,13-14H2,1H3,(H,25,28,29)