N-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[2-[[cyclohexyl(methyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C23H26IN3O3S MolecularWeight: 551.44031

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OC)I

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)OC)I

InChI

InChI=1S/C23H26IN3O3S/c1-27(16-8-4-3-5-9-16)22(29)17-10-6-7-11-19(17)25-23(31)26-21(28)15-12-13-20(30-2)18(24)14-15/h6-7,10-14,16H,3-5,8-9H2,1-2H3,(H2,25,26,28,31)