N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]-2-methoxy-phenyl]-2-chloranyl-benzamide

Systemtic Name: N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]-2-methoxy-phenyl]-2-chloranyl-benzamide Openeye Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methoxy-phenyl]-2-chloro-benzamide CAS Name: N-[4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-chlorobenzamide IUPAC Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methoxyphenyl]-2-chlorobenzamide Traditional Name: N-[4-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]-2-methoxy-phenyl]-2-chloro-benzamide Formula: C27H30ClN3O3S MolecularWeight: 512.0634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H30ClN3O3S/c1-34-23-11-19(6-7-22(23)30-25(33)20-4-2-3-5-21(20)28)29-26(35)31-24(32)15-27-12-16-8-17(13-27)10-18(9-16)14-27/h2-7,11,16-18H,8-10,12-15H2,1H3,(H,30,33)(H2,29,31,32,35)