N-[2-(cyclohexen-1-yl)ethyl-(4-oxidanylbutyl)carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl-(4-oxidanylbutyl)carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[2-(1-cyclohexenyl)ethyl-(4-hydroxybutyl)amino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C21H29IN2O2S MolecularWeight: 500.43663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)CCC2=CCCCC2)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)CCC2=CCCCC2)I

InChI

InChI=1S/C21H29IN2O2S/c1-16-9-10-18(15-19(16)22)20(26)23-21(27)24(12-5-6-14-25)13-11-17-7-3-2-4-8-17/h7,9-10,15,25H,2-6,8,11-14H2,1H3,(H,23,26,27)